1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane

C17H20Cl2OSi — CID 91742549

IUPAC1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2OSi/c1-17(20-21(2,3)4,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12H,1-4H3
InChIKeyYWCQIDMPNDDXPP-UHFFFAOYSA-N
MW339.34 g/mol
LogP6.11
Rot. Bonds4

About 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane

1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane (PubChem CID 91742549) has the molecular formula C17H20Cl2OSi and a molecular weight of 339.34 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane
PubChem CID91742549
Molecular FormulaC17H20Cl2OSi
Molecular Weight339.34 g/mol
Exact Mass338.07
IUPAC Name1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2OSi/c1-17(20-21(2,3)4,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12H,1-4H3
InChIKeyYWCQIDMPNDDXPP-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dicofol
CID 8268
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
Tris(4-chlorophenyl)methanol
CID 76379
Proclonol
CID 26450
1-(4-Chlorophenyl)-1-phenylethanol
CID 14189996
(4-Chlorophenyl)diphenylmethanol
CID 228120
Benzhydrol, 4,4'-dichloro-alpha-fluoromethyl-
CID 260392
1-(4-Chlorophenyl)-4-methyl-1-phenylpent-2-yne-1,4-diol
CID 12229731
1-(4-Chlorophenyl)cyclohexanol
CID 140224
2-(4-Chlorophenyl)-5,5-dimethyl-2-phenylfuran
CID 12283018
Brl 15268
CID 173320
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane?
The IUPAC name of 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane (CID 91742549) is 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane?
The canonical SMILES for 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane is CC(O[Si](C)(C)C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane?
The InChIKey is YWCQIDMPNDDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2OSi/c1-17(20-21(2,3)4,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12H,1-4H3.
What are the key properties of 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane?
1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane has a molecular weight of 339.34 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)ethoxy-trimethylsilane is sourced from PubChem (CID 91742549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).