Cyclohexylmethanol
PubChem CID: 7507
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| Compound Synonyms | CYCLOHEXANEMETHANOL, Cyclohexylmethanol, 100-49-2, Cyclohexylcarbinol, Cyclohexanecarbinol, Hexahydrobenzyl alcohol, Cyclohexylmethyl alcohol, Methanol, cyclohexyl-, Benzyl alcohol, hexahydro-, Hydroxymethylcyclohexane, USAF DO-49, (Hydroxymethyl)cyclohexane, Cyclohexyl methanol, NSC 5288, EINECS 202-857-8, UNII-4VDR6634UG, cyclohexane methanol, MFCD00001510, BRN 0773712, AI3-01172, NSC-5288, CYCLOHEXYL-D11-METHYL ALCOHOL, CYCLOHEXYLCARBINOL [MI], 4VDR6634UG, DTXSID3059212, VSSAZBXXNIABDN-UHFFFAOYSA-, CYCLOHEXYLMETHANOL [USP-RS], 4-06-00-00106 (Beilstein Handbook Reference), BENZYL ALCOHOL IMPURITY B [EP IMPURITY], CYCLOHEXYLMETHANOL (USP-RS), CyclohexYl-Methanol, BENZYL ALCOHOL IMPURITY B (EP IMPURITY), Cyclohexylmethanol, Benzyl Alcohol Imp. B (EP), Benzyl Alcohol Impurity B, cyclohexane-methanol, Methanol, cyclohexyl, hydroxymethyl-cyclohexane, 4-cyclohexylmethylalcohol, 1-hydroxymethylcyclohexane, Benzyl alcohol, hexahydro, (hydroxymethyl)-cyclohexane, WLN: L6TJ A1Q, SCHEMBL20903, DTXCID4032453, NSC5288, BCP27207, AKOS000249005, CS-W011242, SB66817, SY002783, TS-01583, DB-016119, NS00022986, Cyclohexanemethanol, ReagentPlus(R), >=99%, EN300-21580, Cyclohexanemethanol, Vetec(TM) reagent grade, 98%, Q18213346, Z104503428, (Hydroxymethyl)cyclohexane, Cyclohexyl methanol, Hexahydrobenzyl alcohol, Cyclohexylmethanol, United States Pharmacopeia (USP) Reference Standard, QTE |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | OCCCCCCC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexylmethanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cyclohexylmethanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Cyclohexylmethanol |
| Exact Mass | 114.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 114.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2 |
| Smiles | C1CCC(CC1)CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Lagenaria Siceraria (Plant) Rel Props:Reference:ISBN:9770972795006