(4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane

C24H43ClO2Si — CID 91734970

IUPAC(4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C24H43ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-28(2,3)27-22-23-17-19-24(25)20-18-23/h17-20H,4-16,21-22H2,1-3H3
InChIKeyROXDUVGWJSJWFN-UHFFFAOYSA-N
MW427.15 g/mol
LogP8.67
Rot. Bonds18

About (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane

(4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane (PubChem CID 91734970) has the molecular formula C24H43ClO2Si and a molecular weight of 427.15 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane
PubChem CID91734970
Molecular FormulaC24H43ClO2Si
Molecular Weight427.15 g/mol
Exact Mass426.27
IUPAC Name(4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C24H43ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-28(2,3)27-22-23-17-19-24(25)20-18-23/h17-20H,4-16,21-22H2,1-3H3
InChIKeyROXDUVGWJSJWFN-UHFFFAOYSA-N
XLogP8.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.15
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane 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 (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane?
The IUPAC name of (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane (CID 91734970) is (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane?
The canonical SMILES for (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane is CCCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane?
The InChIKey is ROXDUVGWJSJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-28(2,3)27-22-23-17-19-24(25)20-18-23/h17-20H,4-16,21-22H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane?
(4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane has a molecular weight of 427.15 g/mol, XLogP of 8.67, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-dimethyl-pentadecoxysilane is sourced from PubChem (CID 91734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).