2-cyclopentyl-2-methylpropan-1-ol

• ChemBase ID: 243823
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: C(C1CCCC1)(CO)(C)C
• Canonical SMILES: OCC(C1CCCC1)(C)C
• InChI: InChI=1S/C9H18O/c1-9(2,7-10)8-5-3-4-6-8/h8,10H,3-7H2,1-2H3
• InChIKey: LETNLMHXIATUHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-2-methylpropan-1-ol
• IUPAC Traditional name: 2-cyclopentyl-2-methylpropan-1-ol
• Synonyms: 2-cyclopentyl-2-methylpropan-1-ol

Database IDs

• MDL Number: MFCD22628384
• PubChem SID: 164299733
• PubChem CID: 23065036

CALCULATED PROPERTIES

• Acid pKa: 18.277332
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2607262
• LogD (pH = 7.4): 2.2607262
• Log P: 2.2607262
• Molar Refractivity: 42.953 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.654

Product Information

• Purity: 95%