534398
  -OEChem-06062400562D

 40 43  0     1  0  0  0  0  0999 V2000
    4.5037    2.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037   -0.8336    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4047   -0.3997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3302   -1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027   -0.3997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3802    0.5752    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0037    1.3571    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0037    1.3571    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6272    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480   -0.9073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3899    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3274   -1.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668   -2.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6567   -1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936   -1.3705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0178   -0.4920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298   -1.0191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    0.4373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160    1.7063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1858    0.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0138    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723   -1.2383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085    1.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972    0.8437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    0.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430   -0.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810   -2.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9456   -1.5184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3737   -0.8538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546   -1.8743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4176   -2.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -2.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037    1.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3837    1.3571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037    0.7371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0393   -1.8465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -2.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -1.9598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
534398

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
347

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGiAAAYAAAAAAAAAABgAaIADAAAAAGgAAAAAAD1SggAICAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwPAPgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane

> <PUBCHEM_IUPAC_CAS_NAME>
2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.0<SUP>2,4</SUP>.0<SUP>6,8</SUP>]dodecane

> <PUBCHEM_IUPAC_NAME>
2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-8-5-6-9-12(8)13-10(14(13,2)3)7-11-15(9,4)16-11/h8-13H,5-7H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
GLKQAHXBJLGAFT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
220.182715385

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C1C3C(C3(C)C)CC4C2(O4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2C1C3C(C3(C)C)CC4C2(O4)C

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715385

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
7

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  3
2  4  3
3  9  3
5  10  3
6  11  3
7  15  3
8  9  3

$$$$