Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy-
PubChem CID: 536446
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| Compound Synonyms | Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy-, FKJSYGBGLOFDEN-UHFFFAOYSA-N, 1,4,4,7a-Tetramethyloctahydro-1H-inden-1-ol # |
|---|---|
| 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 | C1CCC2CCCC2C1 |
| Np Classifier Class | Drimane sesquiterpenoids |
| Deep Smiles | CCC)CCCCC6CCC5C)O)))))C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC2CCCC2C1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydroinden-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H24O |
| Scaffold Graph Node Bond Level | C1CCC2CCCC2C1 |
| Inchi Key | FKJSYGBGLOFDEN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2.2.6,7-tetramethyl-7-hydroxy-bicyclo[4.3.0]nonane |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- |
| Exact Mass | 196.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 196.33 |
| 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/C13H24O/c1-11(2)7-5-8-12(3)10(11)6-9-13(12,4)14/h10,14H,5-9H2,1-4H3 |
| Smiles | CC1(CCCC2(C1CCC2(C)O)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 Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006