1-cyclopentylpropan-1-ol

• ChemBase ID: 111077
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CCC(O)C1CCCC1
• Canonical SMILES: CCC(C1CCCC1)O
• InChI: InChI=1S/C8H16O/c1-2-8(9)7-5-3-4-6-7/h7-9H,2-6H2,1H3
• InChIKey: JXLATLGQNUUYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpropan-1-ol
• IUPAC Traditional name: 1-cyclopentylpropan-1-ol
• Synonyms: 1-CYCLOPENTYL-1-PROPANOL

Database IDs

• PubChem SID: 162106469
• PubChem CID: 536851

CALCULATED PROPERTIES

• Acid pKa: 19.046968
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0902348
• LogD (pH = 7.4): 2.090235
• Log P: 2.090235
• Molar Refractivity: 38.3481 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217649

MP Biomedicals Rare Chemical collection