dec-9-enenitrile

• ChemBase ID: 86435
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: N#CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCC#N
• InChI: InChI=1S/C10H17N/c1-2-3-4-5-6-7-8-9-10-11/h2H,1,3-9H2
• InChIKey: NDFSMWILPDXXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-9-enenitrile
• IUPAC Traditional name: dec-9-enenitrile
• Synonyms: Dec-9-enenitrile

Database IDs

• MDL Number: MFCD09801068
• PubChem SID: 162073551
• PubChem CID: 14704870

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3431318
• LogD (pH = 7.4): 3.3431318
• Log P: 3.3431318
• Molar Refractivity: 48.501 cm^3
• Polarizability: 18.77432 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true