3-(trimethoxysilyl)propyl acetate

• ChemBase ID: 287051
• Molecular Formular: C8H18O5Si
• Molecular Mass: 222.31102
• Monoisotopic Mass: 222.09235021
• SMILES: CO[Si](CCCOC(=O)C)(OC)OC
• Canonical SMILES: CO[Si](CCCOC(=O)C)(OC)OC
• InChI: InChI=1S/C8H18O5Si/c1-8(9)13-6-5-7-14(10-2,11-3)12-4/h5-7H2,1-4H3
• InChIKey: FZTPAOAMKBXNSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethoxysilyl)propyl acetate
• IUPAC Traditional name: 3-(trimethoxysilyl)propyl acetate
• Synonyms: 3-(Trimethoxysilyl)propyl acetate

Database IDs

• CAS Number: 59004-18-1
• MDL Number: MFCD00039834
• PubChem SID: 180672582
• PubChem CID: 100924

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3395
• LogD (pH = 7.4): 0.3395
• Log P: 0.3395
• Molar Refractivity: 46.899 cm^3
• Polarizability: 21.365355 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%