(4-chlorophenyl)methoxy-dimethyl-octoxysilane

C17H29ClO2Si — CID 91734966

IUPAC(4-chlorophenyl)methoxy-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C17H29ClO2Si/c1-4-5-6-7-8-9-14-19-21(2,3)20-15-16-10-12-17(18)13-11-16/h10-13H,4-9,14-15H2,1-3H3
InChIKeyLZRTWXCBGXEREG-UHFFFAOYSA-N
MW328.96 g/mol
LogP5.94
Rot. Bonds11

About (4-chlorophenyl)methoxy-dimethyl-octoxysilane

(4-chlorophenyl)methoxy-dimethyl-octoxysilane (PubChem CID 91734966) has the molecular formula C17H29ClO2Si and a molecular weight of 328.96 g/mol. Its IUPAC name is (4-chlorophenyl)methoxy-dimethyl-octoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)methoxy-dimethyl-octoxysilane
PubChem CID91734966
Molecular FormulaC17H29ClO2Si
Molecular Weight328.96 g/mol
Exact Mass328.16
IUPAC Name(4-chlorophenyl)methoxy-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1
InChIInChI=1S/C17H29ClO2Si/c1-4-5-6-7-8-9-14-19-21(2,3)20-15-16-10-12-17(18)13-11-16/h10-13H,4-9,14-15H2,1-3H3
InChIKeyLZRTWXCBGXEREG-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.96
LogP ≤ 55.94
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-octoxysilane?
The IUPAC name of (4-chlorophenyl)methoxy-dimethyl-octoxysilane (CID 91734966) is (4-chlorophenyl)methoxy-dimethyl-octoxysilane.
What is the SMILES notation for (4-chlorophenyl)methoxy-dimethyl-octoxysilane?
The canonical SMILES for (4-chlorophenyl)methoxy-dimethyl-octoxysilane is CCCCCCCCO[Si](C)(C)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methoxy-dimethyl-octoxysilane?
The InChIKey is LZRTWXCBGXEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClO2Si/c1-4-5-6-7-8-9-14-19-21(2,3)20-15-16-10-12-17(18)13-11-16/h10-13H,4-9,14-15H2,1-3H3.
What are the key properties of (4-chlorophenyl)methoxy-dimethyl-octoxysilane?
(4-chlorophenyl)methoxy-dimethyl-octoxysilane has a molecular weight of 328.96 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methoxy-dimethyl-octoxysilane is sourced from PubChem (CID 91734966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).