1-(cyclohex-1-en-1-yl)-2-methylbenzene

• ChemBase ID: 108531
• Molecular Formular: C13H16
• Molecular Mass: 172.26614
• Monoisotopic Mass: 172.12520051
• SMILES: Cc1c(cccc1)C1=CCCCC1
• Canonical SMILES: Cc1ccccc1C1=CCCCC1
• InChI: InChI=1S/C13H16/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-8,10H,2-4,9H2,1H3
• InChIKey: CVNBWDMYHUGFDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohex-1-en-1-yl)-2-methylbenzene
• IUPAC Traditional name: 1-(cyclohex-1-en-1-yl)-2-methylbenzene
• Synonyms: 1-(o-TOLYL)CYCLOHEXENE

Database IDs

• PubChem SID: 162106212
• PubChem CID: 89775

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3348103
• LogD (pH = 7.4): 4.3348103
• Log P: 4.3348103
• Molar Refractivity: 58.1408 cm^3
• Polarizability: 22.342873 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207708

MP Biomedicals Rare Chemical collection