but-2-en-1-ylbenzene

• ChemBase ID: 109608
• Molecular Formular: C10H12
• Molecular Mass: 132.20228
• Monoisotopic Mass: 132.09390038
• SMILES: C/C=C/Cc1ccccc1
• Canonical SMILES: C/C=C/Cc1ccccc1
• InChI: InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3
• InChIKey: VUKHQPGJNTXTPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: but-2-en-1-ylbenzene
• IUPAC Traditional name: 1-butenylbenzene
• Synonyms: ISOCROTYLBENZENE

Database IDs

• PubChem SID: 162106311
• PubChem CID: 5356732

CALCULATED PROPERTIES

• Log P: 3.4584515
• Molar Refractivity: 46.0188 cm^3
• Polarizability: 17.559076 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4584515
• LogD (pH = 7.4): 3.4584515

DETAILS

MP Biomedicals - 05211807

MP Biomedicals Rare Chemical collection