3-Methylcyclohexanol
PubChem CID: 11566
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| Compound Synonyms | 3-METHYLCYCLOHEXANOL, 591-23-1, 3-methylcyclohexan-1-ol, m-Methylcyclohexanol, Cyclohexanol, 3-methyl-, Hexahydro-m-cresol, Cyclohexanol, m-methyl-, 3-methyl-cyclohexanol, cis-3-Methylcyclohexanol, (1R,3R)-3-methylcyclohexan-1-ol, EINECS 209-709-1, NSC 123022, BRN 2036372, m-Methyl-Cyclohexanol, AI3-01176, 3-Methylcyclohexanol,c&t, MFCD00001446, 3-Methyl-cis-Cyclohexanol, 3-Methyl-trans-Cyclohexanol, 3-Methylcyclohexanol,cAMP t, DTXSID80870642, 3-06-00-00069 (Beilstein Handbook Reference), trans-3-Methylcyclohexanol, cis-3-Methylcyclohexan-1-ol, 24965-90-0, 24965-94-4, 5454-79-5, 3-Methylhexalin, mMethylcyclohexanol, 7443-55-2, mHexahydromethylphenol, Cyclohexanol, mmethyl, 3Hexahydromethylphenol, 3-methyl cyclohexanol, Cyclohexanol, 3methyl, m-Hexahydromethylphenol, 3-Hexahydromethylphenol, 3-methyl-cyclohexan-1-ol, UNII-LLD7V459JM, LLD7V459JM, SCHEMBL181397, BDBM36192, DTXCID60818345, CHEBI:195740, 3Methylcyclohexanol, mixed isomers, AAA59123, NSC123022, STL301579, AKOS000120099, AKOS016352945, AB86143, AB86174, AB86398, NSC-123022, SB83895, Cyclohexanol, 3-methyl-, (1R,3S)-rel-, M0195, NS00043582, 3Methylcyclohexanol, mixture of cis and trans, EN300-20722, 3-Methylcyclohexanol (cis- and trans- mixture), Q2595963, F8889-6462 |
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| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.8 |
| Database Name | hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylcyclohexan-1-ol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 1.8 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Alcohols and polyols |
| Molecular Formula | C7H14O |
| Inchi Key | HTSABYAWKQAHBT-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3-Methyl-cis-cyclohexanol, 3-Methyl-cyclohexanol, 3-Methyl-trans-cyclohexanol, 3-Methylcyclohexanol, mixed isomers, 3-Methylcyclohexanol, mixture OF cis and trans, 3-Methylcyclohexanol,camp t, cis-3-METHYLCYCLOHEXANOL, Hexahydro-m-cresol, m-Methyl-cyclohexanol, m-Methylcyclohexanol, trans-3-METHYLCYCLOHEXANOL, 3-Methylcyclohexanol, (1R-cis)-isomer, 3-Methylcyclohexanol, (1R-trans)-isomer, 3-Methylcyclohexanol, trans-isomer, 3-Methylcyclohexanol, cis-isomer, 3-Methylcyclohexanol, (trans-(+-))-isomer, 3-Methylcyclohexanol, (cis-(+-))-isomer, 3-Methylcyclohexanol, (1S-cis)-isomer, 3-Methylcyclohexanol |
| Compound Name | 3-Methylcyclohexanol |
| Kingdom | Organic compounds |
| Exact Mass | 114.104 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 114.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 114.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3 |
| Smiles | CC1CCCC(C1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Cyclohexanols |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all