Naphthalene, decahydro-2,3-dimethyl-
CNP0612116.0 · C12H22 · View on COCONUT ↗
Identifiers
| Name | Naphthalene, decahydro-2,3-dimethyl- |
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| IUPAC Name | 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
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| COCONUT ID | CNP0612116.0 |
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| CAS | 1008-80-6 |
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| InChIKey | UBGLIVPMNDOOTE-UHFFFAOYSA-N |
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| InChI | InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3 |
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| SMILES | CC1CC2CCCCC2CC1C |
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Properties
| Molecular Formula | C12H22 |
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| Molecular Weight | 166.31 |
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| Exact Mass | 166.17215 |
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| Log P (ALogP) | 3.86 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.51 |
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| NP-likeness | 0.81 |
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Classification
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Reported in GR-MAPs Plants
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.
