(3-chloropropyl)diethoxymethylsilane

• ChemBase ID: 180112
• Molecular Formular: C8H19ClO2Si
• Molecular Mass: 210.77376
• Monoisotopic Mass: 210.08428406
• SMILES: [Si](OCC)(OCC)(C)CCCCl
• Canonical SMILES: ClCCC[Si](OCC)(OCC)C
• InChI: InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3
• InChIKey: KEZMLECYELSZDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropropyl)diethoxymethylsilane
• IUPAC Traditional name: (3-chloropropyl)diethoxymethylsilane
• Synonyms: 3-Chloropropylmethyldiethoxysilane; (3-Chloropropyl)diethoxy(methyl)silane

Database IDs

• CAS Number: 13501-76-3
• MDL Number: MFCD05663910
• PubChem SID: 164236022
• PubChem CID: 83536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8091
• LogD (pH = 7.4): 1.8091
• Log P: 1.8091
• Molar Refractivity: 49.6081 cm^3
• Polarizability: 21.635698 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%