3-methoxycyclohexan-1-ol

• ChemBase ID: 251291
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: C1C(O)CCCC1OC
• Canonical SMILES: COC1CCCC(C1)O
• InChI: InChI=1S/C7H14O2/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
• InChIKey: ANRGBAYCAUTVKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxycyclohexan-1-ol
• IUPAC Traditional name: 3-methoxycyclohexan-1-ol
• Synonyms: 3-methoxycyclohexan-1-ol

Database IDs

• MDL Number: MFCD07780448
• PubChem SID: 164307201
• PubChem CID: 249259

CALCULATED PROPERTIES

• Acid pKa: 15.177649
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46430743
• LogD (pH = 7.4): 0.46430743
• Log P: 0.46430743
• Molar Refractivity: 35.6526 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

• Melting Point: 35 - 38°C
• Hydrophobicity(logP): 0.448

Product Information

• Purity: 95%