(4-chlorophenyl)methoxy-diethyl-octoxysilane

C19H33ClO2Si — CID 91742681

IUPAC(4-chlorophenyl)methoxy-diethyl-octoxysilane
SMILESCCCCCCCCO[Si](CC)(CC)OCc1ccc(Cl)cc1
InChIInChI=1S/C19H33ClO2Si/c1-4-7-8-9-10-11-16-21-23(5-2,6-3)22-17-18-12-14-19(20)15-13-18/h12-15H,4-11,16-17H2,1-3H3
InChIKeyQYZRQQSNFIPFJQ-UHFFFAOYSA-N
MW357.01 g/mol
LogP6.72
Rot. Bonds13

About (4-chlorophenyl)methoxy-diethyl-octoxysilane

(4-chlorophenyl)methoxy-diethyl-octoxysilane (PubChem CID 91742681) has the molecular formula C19H33ClO2Si and a molecular weight of 357.01 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-diethyl-octoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-diethyl-octoxysilane
PubChem CID91742681
Molecular FormulaC19H33ClO2Si
Molecular Weight357.01 g/mol
Exact Mass356.19
IUPAC Name(4-chlorophenyl)methoxy-diethyl-octoxysilane
SMILESCCCCCCCCO[Si](CC)(CC)OCc1ccc(Cl)cc1
InChIInChI=1S/C19H33ClO2Si/c1-4-7-8-9-10-11-16-21-23(5-2,6-3)22-17-18-12-14-19(20)15-13-18/h12-15H,4-11,16-17H2,1-3H3
InChIKeyQYZRQQSNFIPFJQ-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.01
LogP ≤ 56.72
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-diethyl-octoxysilane 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-diethyl-octoxysilane?
The IUPAC name of (4-chlorophenyl)methoxy-diethyl-octoxysilane (CID 91742681) is (4-chlorophenyl)methoxy-diethyl-octoxysilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-diethyl-octoxysilane?
The canonical SMILES for (4-chlorophenyl)methoxy-diethyl-octoxysilane is CCCCCCCCO[Si](CC)(CC)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-diethyl-octoxysilane?
The InChIKey is QYZRQQSNFIPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33ClO2Si/c1-4-7-8-9-10-11-16-21-23(5-2,6-3)22-17-18-12-14-19(20)15-13-18/h12-15H,4-11,16-17H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-diethyl-octoxysilane?
(4-chlorophenyl)methoxy-diethyl-octoxysilane has a molecular weight of 357.01 g/mol, XLogP of 6.72, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-diethyl-octoxysilane is sourced from PubChem (CID 91742681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).