((8R,8aS)-8-Isopropyl-5-methyl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl)methanol
PubChem CID: 14845381
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| Compound Synonyms | PSCGCYQLAZATGE-UHFFFAOYSA-N, ((8R,8aS)-8-Isopropyl-5-methyl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl)methanol, 2-Naphthalenemethanol, 3,4,6,7,8,8a-hexahydro-5-methyl-8-(1-methylethyl)-, (8R,8aS)-, 2-Naphthalenemethanol, 3,4,6,7,8,8a-hexahydro-5-methyl-8-(1-methylethyl)-, (8R-cis)- |
|---|---|
| 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 | Cadinane sesquiterpenoids |
| Deep Smiles | OCC=CCC=CC)CCC6CC)C))))))CC6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1=CC2CCCC=C2CC1 |
| Inchi Key | PSCGCYQLAZATGE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 14-hydroxi-δ-cadinene, 14-hydroxy- δ -cadinene, 14-hydroxy-delta-cadinene, 14-hydroxy-δ-cadinene, 14-hydroxy-∆-cadinene |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C(C)C, CC=C(C)C, CO |
| Compound Name | ((8R,8aS)-8-Isopropyl-5-methyl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl)methanol |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8,10,13,15-16H,4-7,9H2,1-3H3 |
| Smiles | CC1=C2CCC(=CC2C(CC1)C(C)C)CO |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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