1-cyclopropylpropan-1-one

• ChemBase ID: 278694
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: C1(CC1)C(=O)CC
• Canonical SMILES: CCC(=O)C1CC1
• InChI: InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
• InChIKey: JXAVVBPORYWDME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpropan-1-one
• IUPAC Traditional name: 1-cyclopropylpropan-1-one
• Synonyms: 1-cyclopropylpropan-1-one

Database IDs

• MDL Number: MFCD11934281
• PubChem SID: 164334604
• PubChem CID: 549699

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5866119
• LogD (pH = 7.4): 1.5866119
• Log P: 1.5866119
• Molar Refractivity: 28.2209 cm^3
• Polarizability: 11.123001 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.905

Product Information

• Purity: 95%