1,2-dimethylcyclohex-1-ene

• ChemBase ID: 112763
• Molecular Formular: C8H14
• Molecular Mass: 110.19676
• Monoisotopic Mass: 110.10955045
• SMILES: CC1=C(C)CCCC1
• Canonical SMILES: CC1=C(C)CCCC1
• InChI: InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3
• InChIKey: TXNWMICHNKMOBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethylcyclohex-1-ene
• IUPAC Traditional name: cyclohexene, 1,2-dimethyl-
• Synonyms: 1,2-DIMETHYL CYCLOHEXENE

Database IDs

• CAS Number: 1674-10-8
• EC Number: 216-814-6
• PubChem SID: 162097554
• PubChem CID: 15480

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.792213
• LogD (pH = 7.4): 2.792213
• Log P: 2.792213
• Molar Refractivity: 37.2866 cm^3
• Polarizability: 14.547113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136°C
• Density: 0.823 g/ml

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• Risk Statements: R:10-22-50/53
• Safety Statements: S:16-29-46

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05225678

MP Biomedicals Rare Chemical collection