1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID: 15241251
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| Compound Synonyms | SCHEMBL12794160 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Drimane sesquiterpenoids |
| Deep Smiles | CCCC)O)CCCC6C)CCCC6C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H28O |
| Scaffold Graph Node Bond Level | C1CCC2CCCCC2C1 |
| Inchi Key | XSGDPVPUQBOYGK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | driman-8-ol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Exact Mass | 224.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.38 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H28O/c1-11-14(4)9-6-8-13(2,3)12(14)7-10-15(11,5)16/h11-12,16H,6-10H2,1-5H3 |
| Smiles | CC1C2(CCCC(C2CCC1(C)O)(C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042084