1-(propan-2-yl)cyclopentan-1-ol

• ChemBase ID: 266495
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: C1(C(C)C)(O)CCCC1
• Canonical SMILES: CC(C1(O)CCCC1)C
• InChI: InChI=1S/C8H16O/c1-7(2)8(9)5-3-4-6-8/h7,9H,3-6H2,1-2H3
• InChIKey: PVHCTQIRJHNLMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)cyclopentan-1-ol
• IUPAC Traditional name: 1-isopropylcyclopentan-1-ol
• Synonyms: 1-(propan-2-yl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD12067579
• PubChem SID: 164322405
• PubChem CID: 244003

CALCULATED PROPERTIES

• Acid pKa: 19.865515
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0041964
• LogD (pH = 7.4): 2.0041966
• Log P: 2.0041966
• Molar Refractivity: 38.3083 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.155

Product Information

• Purity: 95%