diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane

C18H18Cl6O2Si — CID 91731794

IUPACdiethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane
SMILESCC[Si](CC)(OCc1c(Cl)cc(Cl)cc1Cl)OCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl6O2Si/c1-3-27(4-2,25-9-13-15(21)5-11(19)6-16(13)22)26-10-14-17(23)7-12(20)8-18(14)24/h5-8H,3-4,9-10H2,1-2H3
InChIKeyFARBACXWRQHQMO-UHFFFAOYSA-N
MW507.14 g/mol
LogP8.82
Rot. Bonds8

About diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane

diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane (PubChem CID 91731794) has the molecular formula C18H18Cl6O2Si and a molecular weight of 507.14 g/mol. Its IUPAC name is diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane.

Molecular Properties

Compound Namediethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane
PubChem CID91731794
Molecular FormulaC18H18Cl6O2Si
Molecular Weight507.14 g/mol
Exact Mass503.92
IUPAC Namediethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane
SMILESCC[Si](CC)(OCc1c(Cl)cc(Cl)cc1Cl)OCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl6O2Si/c1-3-27(4-2,25-9-13-15(21)5-11(19)6-16(13)22)26-10-14-17(23)7-12(20)8-18(14)24/h5-8H,3-4,9-10H2,1-2H3
InChIKeyFARBACXWRQHQMO-UHFFFAOYSA-N
XLogP8.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.14
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane?
The IUPAC name of diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane (CID 91731794) is diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane.
What is the SMILES notation for diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane?
The canonical SMILES for diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane is CC[Si](CC)(OCc1c(Cl)cc(Cl)cc1Cl)OCc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane?
The InChIKey is FARBACXWRQHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl6O2Si/c1-3-27(4-2,25-9-13-15(21)5-11(19)6-16(13)22)26-10-14-17(23)7-12(20)8-18(14)24/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane?
diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane has a molecular weight of 507.14 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis[(2,4,6-trichlorophenyl)methoxy]silane is sourced from PubChem (CID 91731794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).