9-methyldec-9-enenitrile

• ChemBase ID: 73681
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: N#CCCCCCCCC(=C)C
• Canonical SMILES: N#CCCCCCCCC(=C)C
• InChI: InChI=1S/C11H19N/c1-11(2)9-7-5-3-4-6-8-10-12/h1,3-9H2,2H3
• InChIKey: CUTBIZVWRVWJBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyldec-9-enenitrile
• IUPAC Traditional name: 9-methyldec-9-enenitrile
• Synonyms: 9-Methyldec-9-enenitrile 97%

Database IDs

• MDL Number: MFCD09801074
• PubChem SID: 162038600
• PubChem CID: 24721702

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.586493
• LogD (pH = 7.4): 3.586493
• Log P: 3.586493
• Molar Refractivity: 52.783 cm^3
• Polarizability: 20.620926 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable