Camphene hydrate
PubChem CID: 101680
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| Compound Synonyms | Camphene hydrate, 3-Methylcamphenilol, 3-Methylcamphenilanol, 465-31-6, 2-Norbornanol, 2,3,3-trimethyl-, Camphenilanol, 3-methyl-, 2,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol, 2,3,3-trimethyl-2-norbornanol, 2,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol, X04T15R450, UNII-X04T15R450, DTXSID00861951, Bicyclo(2.2.1)heptan-2-ol, 2,3,3-trimethyl-, Bicyclo[2.2.1]heptan-2-ol, 2,3,3-trimethyl-, camphenehydrate, Camphene-hydrate, Camphene-hydric acid, SCHEMBL2469093, DTXCID70810799, CHEBI:167368, NS00124553, 2,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol #, Q27894518 |
|---|---|
| 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 | C1CC2CCC1C2 |
| Np Classifier Class | Camphane monoterpenoids |
| Deep Smiles | CCC)CCCCC6C)O))C5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Camphene-hydrate, also known as camphene-hydric acid, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Camphene-hydrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Camphene-hydrate can be found in ginger, which makes camphene-hydrate a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,3-trimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXRCIOIWVGAZEP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.73 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.725 |
| Synonyms | 2-Norbornanol, 2,3,3-trimethyl-, 2,3,3-Trimethylbicyclo(2.2.1)heptan-2-ol, 2,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol, 3-Methylcamphenilanol, 3-Methylcamphenilol, Bicyclo(2.2.1)heptan-2-ol, 2,3,3-trimethyl-, Bicyclo[2.2.1]heptan-2-ol, 2,3,3-trimethyl-, Camphenilanol, 3-methyl-, Camphene-hydric acid, camphenc hydrate, camphene hydrate, camphene hydrate+, carnphene hydrate |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Camphene hydrate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.2453686 |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-4-5-8(6-7)10(9,3)11/h7-8,11H,4-6H2,1-3H3 |
| Smiles | CC1(C2CCC(C2)C1(C)O)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Bicyclic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
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