1-(2-methylpropyl)cyclopentan-1-ol

• ChemBase ID: 271800
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: C1(CC(C)C)(O)CCCC1
• Canonical SMILES: CC(CC1(O)CCCC1)C
• InChI: InChI=1S/C9H18O/c1-8(2)7-9(10)5-3-4-6-9/h8,10H,3-7H2,1-2H3
• InChIKey: LBWDLFMCZAIJTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)cyclopentan-1-ol
• IUPAC Traditional name: 1-(2-methylpropyl)cyclopentan-1-ol
• Synonyms: 1-(2-methylpropyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD12067581
• PubChem SID: 164327710
• PubChem CID: 13414407

CALCULATED PROPERTIES

• Acid pKa: 19.752802
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3708115
• LogD (pH = 7.4): 2.3708117
• Log P: 2.3708117
• Molar Refractivity: 42.9863 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): 2.684

Product Information

• Purity: 95%