tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane

C31H37Cl3O2Si — CID 174162336

IUPACtris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane
SMILESCOCC(CC[Si](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)(COC)C1CCCCC1
InChIInChI=1S/C31H37Cl3O2Si/c1-35-22-31(23-36-2,24-6-4-3-5-7-24)20-21-37(28-14-8-25(32)9-15-28,29-16-10-26(33)11-17-29)30-18-12-27(34)13-19-30/h8-19,24H,3-7,20-23H2,1-2H3
InChIKeyDFNWJDFWVPUSQJ-UHFFFAOYSA-N
MW576.08 g/mol
LogP7.37
Rot. Bonds11

About tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane

tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane (PubChem CID 174162336) has the molecular formula C31H37Cl3O2Si and a molecular weight of 576.08 g/mol. Its IUPAC name is tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane.

Molecular Properties

Compound Nametris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane
PubChem CID174162336
Molecular FormulaC31H37Cl3O2Si
Molecular Weight576.08 g/mol
Exact Mass574.16
IUPAC Nametris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane
SMILESCOCC(CC[Si](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)(COC)C1CCCCC1
InChIInChI=1S/C31H37Cl3O2Si/c1-35-22-31(23-36-2,24-6-4-3-5-7-24)20-21-37(28-14-8-25(32)9-15-28,29-16-10-26(33)11-17-29)30-18-12-27(34)13-19-30/h8-19,24H,3-7,20-23H2,1-2H3
InChIKeyDFNWJDFWVPUSQJ-UHFFFAOYSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.08
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane?
The IUPAC name of tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane (CID 174162336) is tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane.
What is the SMILES notation for tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane?
The canonical SMILES for tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane is COCC(CC[Si](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)(COC)C1CCCCC1.
What is the InChIKey of tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane?
The InChIKey is DFNWJDFWVPUSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37Cl3O2Si/c1-35-22-31(23-36-2,24-6-4-3-5-7-24)20-21-37(28-14-8-25(32)9-15-28,29-16-10-26(33)11-17-29)30-18-12-27(34)13-19-30/h8-19,24H,3-7,20-23H2,1-2H3.
What are the key properties of tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane?
tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane has a molecular weight of 576.08 g/mol, XLogP of 7.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane is sourced from PubChem (CID 174162336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).