1-methoxy-4-methylpentan-3-ol

• ChemBase ID: 237466
• Molecular Formular: C7H16O2
• Molecular Mass: 132.20074
• Monoisotopic Mass: 132.11502975
• SMILES: C(C(C)C)(CCOC)O
• Canonical SMILES: COCCC(C(C)C)O
• InChI: InChI=1S/C7H16O2/c1-6(2)7(8)4-5-9-3/h6-8H,4-5H2,1-3H3
• InChIKey: DKPHCKMCUOOYCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-methylpentan-3-ol
• IUPAC Traditional name: 1-methoxy-4-methylpentan-3-ol
• Synonyms: 1-methoxy-4-methylpentan-3-ol

Database IDs

• MDL Number: MFCD14661444
• PubChem SID: 164293376
• PubChem CID: 12009851

CALCULATED PROPERTIES

• Log P: 0.7984774
• Molar Refractivity: 37.5846 cm^3
• Polarizability: 14.934643 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.893648
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7984774
• LogD (pH = 7.4): 0.7984774

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.952

Product Information

• Purity: 95%