(1S,3S,5S)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol
PubChem CID: 88297
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| Compound Synonyms | cis-Pinocarveol, 19889-99-7, [1S-(1alpha,3beta,5alpha)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol, (1S,3S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol, (1S,3S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol, (1S-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol, (1S,3S,5S)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol, EINECS 243-406-5, LCYXQUJDODZYIJ-YIZRAAEISA-N, DTXSID501185680, NS00123094, EN300-6821084 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC1C2 |
| Np Classifier Class | Pinane monoterpenoids |
| Deep Smiles | C=C[C@@H]O)C[C@@H]C[C@H]6C4C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,3S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C=C1CCC2CC1C2 |
| Inchi Key | LCYXQUJDODZYIJ-YIZRAAEISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cis-pinocarveol |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | (1S,3S,5S)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1 |
| Smiles | CC1([C@H]2C[C@@H]1C(=C)[C@H](C2)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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