1-cyclopentylpropan-1-one

• ChemBase ID: 144144
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: CCC(=O)C1CCCC1
• Canonical SMILES: CCC(=O)C1CCCC1
• InChI: InChI=1S/C8H14O/c1-2-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3
• InChIKey: COHMZOFFBRKADW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylpropan-1-one
• IUPAC Traditional name: 1-cyclopentylpropan-1-one
• Synonyms: 1-Cyclopentylpropan-1-one; 1-cyclopentylpropan-1-one

Database IDs

• CAS Number: 6635-67-2
• MDL Number: MFCD04374390
• PubChem SID: 162238361
• PubChem CID: 243074

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4757493
• LogD (pH = 7.4): 2.4757493
• Log P: 2.4757493
• Molar Refractivity: 37.4229 cm^3
• Polarizability: 14.80832 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H14O

DETAILS

Sigma Aldrich - CBR00350

Other Notes
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Legal Information
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