(4-chlorophenyl)methoxy-dimethyl-tridecoxysilane

C22H39ClO2Si — CID 91734968

IUPAC(4-chlorophenyl)methoxy-dimethyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C22H39ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-19-24-26(2,3)25-20-21-15-17-22(23)18-16-21/h15-18H,4-14,19-20H2,1-3H3
InChIKeyHOYWBCOOSRHBLD-UHFFFAOYSA-N
MW399.09 g/mol
LogP7.89
Rot. Bonds16

About (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane

(4-chlorophenyl)methoxy-dimethyl-tridecoxysilane (PubChem CID 91734968) has the molecular formula C22H39ClO2Si and a molecular weight of 399.09 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-dimethyl-tridecoxysilane
PubChem CID91734968
Molecular FormulaC22H39ClO2Si
Molecular Weight399.09 g/mol
Exact Mass398.24
IUPAC Name(4-chlorophenyl)methoxy-dimethyl-tridecoxysilane
SMILESCCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C22H39ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-19-24-26(2,3)25-20-21-15-17-22(23)18-16-21/h15-18H,4-14,19-20H2,1-3H3
InChIKeyHOYWBCOOSRHBLD-UHFFFAOYSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.09
LogP ≤ 57.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane?
The IUPAC name of (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane (CID 91734968) is (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane?
The canonical SMILES for (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane is CCCCCCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane?
The InChIKey is HOYWBCOOSRHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39ClO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-19-24-26(2,3)25-20-21-15-17-22(23)18-16-21/h15-18H,4-14,19-20H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane?
(4-chlorophenyl)methoxy-dimethyl-tridecoxysilane has a molecular weight of 399.09 g/mol, XLogP of 7.89, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-dimethyl-tridecoxysilane is sourced from PubChem (CID 91734968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).