(2-methylprop-2-en-1-yl)cyclohexane

• ChemBase ID: 112647
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CC(=C)CC1CCCCC1
• Canonical SMILES: CC(=C)CC1CCCCC1
• InChI: InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h10H,1,3-8H2,2H3
• InChIKey: NPOMKHQWAVPNRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylprop-2-en-1-yl)cyclohexane
• IUPAC Traditional name: (2-methylprop-2-en-1-yl)cyclohexane
• Synonyms: 3-CYCLOHEXYL-2-METHYL-1-PROPENE

Database IDs

• PubChem SID: 162106803
• PubChem CID: 543761

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7829418
• LogD (pH = 7.4): 3.7829418
• Log P: 3.7829418
• Molar Refractivity: 45.6827 cm^3
• Polarizability: 18.241005 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225157

MP Biomedicals Rare Chemical collection