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COCONUT Compound

Pentadecane

CNP0314547.0 · C15H32 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NamePentadecane
IUPAC Namepentadecane
COCONUT IDCNP0314547.0
CAS629-62-9
InChIKeyYCOZIPAWZNQLMR-UHFFFAOYSA-N
InChIInChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
SMILESCCCCCCCCCCCCCCC

Properties

Molecular FormulaC15H32
Molecular Weight212.42
Exact Mass212.25040
Log P (ALogP)6.10
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds12
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.34
NP-likeness0.16

Classification

NP PathwayFatty acids
NP SuperclassFatty acyls
NP ClassHydrocarbons
Chemical SuperclassHydrocarbons
Chemical ClassSaturated hydrocarbons
Chemical SubclassAlkanes

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (78)

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  2. 10.1002/CBDV.201300106
  3. 10.1002/CJOC.201180379
  4. 10.1002/JEZ.1402460308
  5. 10.1002/cbdv.201300106
  6. 10.1007/978-3-662-03331-9_2
  7. 10.1007/BF01959170
  8. 10.1016/0031-9422(88)87020-1
  9. 10.1016/0031-9422(90)83036-Z
  10. 10.1016/0031-9422(91)84185-U
  11. 10.1016/0031-9422(91)85017-T
  12. 10.1016/0031-9422(92)80160-G
  13. 10.1016/J.BSE.2016.02.030
  14. 10.1016/J.FOODCHEM.2012.09.111
  15. 10.1016/J.PHYTOCHEM.2009.07.031
  16. 10.1016/J.RENENE.2017.12.012
  17. 10.1016/S0031-9422(00)80814-6
  18. 10.1016/S0031-9422(00)81276-5
  19. 10.1016/S0031-9422(00)81427-2
  20. 10.1016/S0031-9422(00)85772-6
  21. 10.1016/S0031-9422(00)94756-3
  22. 10.1016/S0031-9422(97)00943-6
  23. 10.1016/S0378-8741(01)00274-4
  24. 10.1017/S1742758400005282
  25. 10.1021/JF00034A033
  26. 10.1021/JF00120A031
  27. 10.1021/JF60200A011
  28. 10.1021/JF960625+
  29. 10.1021/JF960927B
  30. 10.1021/NP000159P
  31. 10.1021/NP50008A001
  32. 10.1021/NP50048A039
  33. 10.1021/NP50052A041
  34. 10.1021/NP50055A014
  35. 10.1021/NP800631T
  36. 10.1021/NP970146K
  37. 10.1021/jf00120a031
  38. 10.1021/jf960625+
  39. 10.1039/JR9630000677
  40. 10.1055/S-0028-1099475

Showing 40 of 78. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.