[3-(chloromethyl)phenyl]-triethoxysilane

C13H21ClO3Si — CID 68630092

IUPAC[3-(chloromethyl)phenyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cccc(CCl)c1
InChIInChI=1S/C13H21ClO3Si/c1-4-15-18(16-5-2,17-6-3)13-9-7-8-12(10-13)11-14/h7-10H,4-6,11H2,1-3H3
InChIKeyLPKILYLHHJFYGW-UHFFFAOYSA-N
MW288.85 g/mol
LogP2.68
Rot. Bonds8

About [3-(chloromethyl)phenyl]-triethoxysilane

[3-(chloromethyl)phenyl]-triethoxysilane (PubChem CID 68630092) has the molecular formula C13H21ClO3Si and a molecular weight of 288.85 g/mol. Its IUPAC name is [3-(chloromethyl)phenyl]-triethoxysilane.

Molecular Properties

Compound Name[3-(chloromethyl)phenyl]-triethoxysilane
PubChem CID68630092
Molecular FormulaC13H21ClO3Si
Molecular Weight288.85 g/mol
Exact Mass288.09
IUPAC Name[3-(chloromethyl)phenyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cccc(CCl)c1
InChIInChI=1S/C13H21ClO3Si/c1-4-15-18(16-5-2,17-6-3)13-9-7-8-12(10-13)11-14/h7-10H,4-6,11H2,1-3H3
InChIKeyLPKILYLHHJFYGW-UHFFFAOYSA-N
XLogP2.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-(chloromethyl)phenyl]-triethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)phenyl]-triethoxysilane?
The IUPAC name of [3-(chloromethyl)phenyl]-triethoxysilane (CID 68630092) is [3-(chloromethyl)phenyl]-triethoxysilane.
What is the SMILES notation for [3-(chloromethyl)phenyl]-triethoxysilane?
The canonical SMILES for [3-(chloromethyl)phenyl]-triethoxysilane is CCO[Si](OCC)(OCC)c1cccc(CCl)c1.
What is the InChIKey of [3-(chloromethyl)phenyl]-triethoxysilane?
The InChIKey is LPKILYLHHJFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO3Si/c1-4-15-18(16-5-2,17-6-3)13-9-7-8-12(10-13)11-14/h7-10H,4-6,11H2,1-3H3.
What are the key properties of [3-(chloromethyl)phenyl]-triethoxysilane?
[3-(chloromethyl)phenyl]-triethoxysilane has a molecular weight of 288.85 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)phenyl]-triethoxysilane is sourced from PubChem (CID 68630092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).