3-Methylcyclopentanol, mixed isomers
PubChem CID: 86785
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| Compound Synonyms | 3-Methylcyclopentanol, 18729-48-1, 3-methylcyclopentan-1-ol, Cyclopentanol, 3-methyl-, 3-methyl-cyclopentanol, EINECS 242-540-1, MFCD00001368, 3-Methyl-1-cyclopentanol, 3-methylcyclopentyl alcohol, SCHEMBL181737, DTXSID70864853, GEO-01804, AKOS005255219, AS-86069, DA-08875, SY147742, CS-0107204, NS00125934, D76706, EN300-128231, Z1233224917, 242-540-1 |
|---|---|
| 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 | C1CCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CCCCCC5)O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylcyclopentan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Scaffold Graph Node Bond Level | C1CCCC1 |
| Inchi Key | VEALHWXMCIRWGC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3-methyl-cyclopentanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 3-Methylcyclopentanol, mixed isomers |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| 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/C6H12O/c1-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3 |
| Smiles | CC1CCC(C1)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.775081