3-ethylcyclopent-1-ene

• ChemBase ID: 110813
• Molecular Formular: C7H12
• Molecular Mass: 96.17018
• Monoisotopic Mass: 96.09390038
• SMILES: CCC1CCC=C1
• Canonical SMILES: CCC1CCC=C1
• InChI: InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3
• InChIKey: HICUGGYRYZOXJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylcyclopent-1-ene
• IUPAC Traditional name: cyclopentene, 3-ethyl-
• Synonyms: 3-ETHYLCYCLOPENTENE

Database IDs

• CAS Number: 694-35-9
• PubChem SID: 162096961
• PubChem CID: 79095

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5925095
• LogD (pH = 7.4): 2.5925095
• Log P: 2.5925095
• Molar Refractivity: 33.2712 cm^3
• Polarizability: 12.70021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216453

MP Biomedicals Rare Chemical collection