[(1Z)-cyclopropylidenemethyl]benzene

• ChemBase ID: 276689
• Molecular Formular: C10H10
• Molecular Mass: 130.1864
• Monoisotopic Mass: 130.07825032
• SMILES: C1(=Cc2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)C=C1CC1
• InChI: InChI=1S/C10H10/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,8H,6-7H2
• InChIKey: VXAOEHNEGSMNAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1Z)-cyclopropylidenemethyl]benzene
• IUPAC Traditional name: [(1Z)-cyclopropylidenemethyl]benzene
• Synonyms: (cyclopropylidenemethyl)benzene

Database IDs

• MDL Number: MFCD00226691
• PubChem SID: 164332599
• PubChem CID: 522586

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8762183
• LogD (pH = 7.4): 2.8762183
• Log P: 2.8762183
• Molar Refractivity: 43.8976 cm^3
• Polarizability: 16.887405 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.31

Product Information

• Purity: 95%