(1-methylcyclohexyl)methanol

• ChemBase ID: 170845
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: C1CCCC(C1)(C)CO
• Canonical SMILES: OCC1(C)CCCCC1
• InChI: InChI=1S/C8H16O/c1-8(7-9)5-3-2-4-6-8/h9H,2-7H2,1H3
• InChIKey: UUBPRIUBEQJUQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcyclohexyl)methanol
• IUPAC Traditional name: (1-methylcyclohexyl)methanol
• Synonyms: (1-Methylcyclohexanyl)methanol; 1-Methyl-1-cyclohexanemethanol; 1-Hydroxymethyl-1-methylcyclohexane; (1-methylcyclohexyl)methanol

Database IDs

• CAS Number: 14064-13-2
• MDL Number: MFCD00270318
• PubChem SID: 164226755
• PubChem CID: 1501840

CALCULATED PROPERTIES

• Acid pKa: 18.233461
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.973707
• LogD (pH = 7.4): 1.9737071
• Log P: 1.9737071
• Molar Refractivity: 38.4044 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil
• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 2.405

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95%