4,4-dimethyl-2-[(trimethylsilyl)oxy]pentanenitrile

• ChemBase ID: 249163
• Molecular Formular: C10H21NOSi
• Molecular Mass: 199.36534
• Monoisotopic Mass: 199.13924083
• SMILES: N#CC(O[Si](C)(C)C)CC(C)(C)C
• Canonical SMILES: N#CC(O[Si](C)(C)C)CC(C)(C)C
• InChI: InChI=1S/C10H21NOSi/c1-10(2,3)7-9(8-11)12-13(4,5)6/h9H,7H2,1-6H3
• InChIKey: HIJMFPIEONREOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethyl-2-[(trimethylsilyl)oxy]pentanenitrile
• IUPAC Traditional name: 4,4-dimethyl-2-[(trimethylsilyl)oxy]pentanenitrile
• Synonyms: 4,4-dimethyl-2-[(trimethylsilyl)oxy]pentanenitrile

Database IDs

• MDL Number: MFCD17254851
• PubChem SID: 164305073
• PubChem CID: 62951935

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1154
• LogD (pH = 7.4): 3.1154
• Log P: 3.1154
• Molar Refractivity: 52.0937 cm^3
• Polarizability: 22.613234 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.874

Product Information

• Purity: 95%