4-methoxycyclohexan-1-ol

• ChemBase ID: 237627
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: C1(CCC(CC1)OC)O
• Canonical SMILES: COC1CCC(CC1)O
• InChI: InChI=1S/C7H14O2/c1-9-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
• InChIKey: PFTGXSGDFZZZFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxycyclohexan-1-ol
• IUPAC Traditional name: 4-methoxycyclohexan-1-ol
• Synonyms: 4-methoxycyclohexan-1-ol; 4-Methoxycyclohexanol

Database IDs

• CAS Number: 18068-06-9
• MDL Number: MFCD00019333
• PubChem SID: 164293537
• PubChem CID: 140332

CALCULATED PROPERTIES

• Acid pKa: 15.252923
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.53710145
• LogD (pH = 7.4): 0.53710145
• Log P: 0.53710145
• Molar Refractivity: 35.6962 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.104

Product Information

• Purity: 95%; 95+%