2,2-dimethylpentanedinitrile

• ChemBase ID: 248481
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: N#CC(CCC#N)(C)C
• Canonical SMILES: N#CCCC(C#N)(C)C
• InChI: InChI=1S/C7H10N2/c1-7(2,6-9)4-3-5-8/h3-4H2,1-2H3
• InChIKey: YTAGXUZOUXMDHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpentanedinitrile
• IUPAC Traditional name: 2,2-dimethylpentanedinitrile
• Synonyms: 2,2-dimethylpentanedinitrile

Database IDs

• MDL Number: MFCD21185315
• PubChem SID: 164304391
• PubChem CID: 19809777

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2609841
• LogD (pH = 7.4): 1.2609841
• Log P: 1.2609841
• Molar Refractivity: 35.1721 cm^3
• Polarizability: 13.307462 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.263

Product Information

• Purity: 95%