8-methylnon-8-enenitrile

• ChemBase ID: 73680
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: N#CCCCCCCC(=C)C
• Canonical SMILES: N#CCCCCCCC(=C)C
• InChI: InChI=1S/C10H17N/c1-10(2)8-6-4-3-5-7-9-11/h1,3-8H2,2H3
• InChIKey: DBSUJVBNZJMCGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylnon-8-enenitrile
• IUPAC Traditional name: 8-methylnon-8-enenitrile
• Synonyms: 8-Methylnon-8-enenitrile 97%

Database IDs

• MDL Number: MFCD09801073
• PubChem SID: 162038599
• PubChem CID: 24721701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1419244
• LogD (pH = 7.4): 3.1419244
• Log P: 3.1419244
• Molar Refractivity: 48.182 cm^3
• Polarizability: 18.77432 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Flammable