(1-methylcyclopentyl)methanol

• ChemBase ID: 242607
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: C1(CO)(C)CCCC1
• Canonical SMILES: OCC1(C)CCCC1
• InChI: InChI=1S/C7H14O/c1-7(6-8)4-2-3-5-7/h8H,2-6H2,1H3
• InChIKey: MXJAKZQKSYGLTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcyclopentyl)methanol
• IUPAC Traditional name: (1-methylcyclopentyl)methanol
• Synonyms: (1-methylcyclopentyl)methanol

Database IDs

• MDL Number: MFCD13184228
• PubChem SID: 164298517
• PubChem CID: 12830793

CALCULATED PROPERTIES

• Acid pKa: 18.217266
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5291383
• LogD (pH = 7.4): 1.5291383
• Log P: 1.5291383
• Molar Refractivity: 33.8034 cm^3
• Polarizability: 13.512976 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.846

Product Information

• Purity: 95%