Campherenol
PubChem CID: 91747494
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| Compound Synonyms | Campherenol, (2R)-1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo(2.2.1)heptan-2-ol, (2R)-1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol, (1S,4S,7-Syn)-1,7-dimethyl-7-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptan-2a-ol, (1S,4S,7-Syn)-1,7-dimethyl-7-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptan-2I+--ol, (1S,4S,7-Syn)-1,7-dimethyl-7-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptan-2a-ol, (1S,4S,7-Syn)-1,7-dimethyl-7-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptan-2I+--ol, Q67879758, 18530-03-5 |
|---|---|
| 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 | C1CC2CCC1C2 |
| Np Classifier Class | Campherenane sesquiterpenoids |
| Deep Smiles | CC=CCCCC)CCCC5C)[C@@H]C6)O))))))))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Is Pains | False |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SGAYOTORECIFCJ-MXTXEEQBSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.538 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.951 |
| Synonyms | campherenol, canpherenol |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | Campherenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| 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 |
| Esol | -3.9754064000000002 |
| Inchi | InChI=1S/C15H26O/c1-11(2)6-5-8-14(3)12-7-9-15(14,4)13(16)10-12/h6,12-13,16H,5,7-10H2,1-4H3/t12?,13-,14?,15?/m1/s1 |
| Smiles | CC(=CCCC1(C2CCC1([C@@H](C2)O)C)C)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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