1-ethyl-2-methylcyclopent-1-ene

• ChemBase ID: 107635
• Molecular Formular: C8H14
• Molecular Mass: 110.19676
• Monoisotopic Mass: 110.10955045
• SMILES: CCC1=C(C)CCC1
• Canonical SMILES: CCC1=C(C)CCC1
• InChI: InChI=1S/C8H14/c1-3-8-6-4-5-7(8)2/h3-6H2,1-2H3
• InChIKey: MMYZGQDXYZNAQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-methylcyclopent-1-ene
• IUPAC Traditional name: 1-ethyl-2-methylcyclopent-1-ene
• Synonyms: METHYL ETHYL CYCLOPENTENE

Database IDs

• CAS Number: 19780-56-4
• PubChem SID: 162093258
• PubChem CID: 88243

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: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204419

MP Biomedicals Rare Chemical collection