5-ethylnon-1-ene

• ChemBase ID: 112558
• Molecular Formular: C11H22
• Molecular Mass: 154.29238
• Monoisotopic Mass: 154.1721507
• SMILES: CCCCC(CC)CCC=C
• Canonical SMILES: CCCCC(CCC=C)CC
• InChI: InChI=1S/C11H22/c1-4-7-9-11(6-3)10-8-5-2/h4,11H,1,5-10H2,2-3H3
• InChIKey: FERQWJMFSVKKGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylnon-1-ene
• IUPAC Traditional name: 5-ethylnon-1-ene
• Synonyms: 5-ETHYL-1-NONENE

Database IDs

• PubChem SID: 162106700
• PubChem CID: 550826

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8924437
• LogD (pH = 7.4): 4.8924437
• Log P: 4.8924437
• Molar Refractivity: 52.4049 cm^3
• Polarizability: 20.835823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224626

MP Biomedicals Rare Chemical collection