1,1-diethoxyethyl(triethoxy)silane

C12H28O5Si — CID 175450759

IUPAC1,1-diethoxyethyl(triethoxy)silane
SMILESCCOC(C)(OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H28O5Si/c1-7-13-12(6,14-8-2)18(15-9-3,16-10-4)17-11-5/h7-11H2,1-6H3
InChIKeyAQGSPXGZVIFEHP-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.36
Rot. Bonds11

About 1,1-diethoxyethyl(triethoxy)silane

1,1-diethoxyethyl(triethoxy)silane (PubChem CID 175450759) has the molecular formula C12H28O5Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 1,1-diethoxyethyl(triethoxy)silane.

Molecular Properties

Compound Name1,1-diethoxyethyl(triethoxy)silane
PubChem CID175450759
Molecular FormulaC12H28O5Si
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1,1-diethoxyethyl(triethoxy)silane
SMILESCCOC(C)(OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H28O5Si/c1-7-13-12(6,14-8-2)18(15-9-3,16-10-4)17-11-5/h7-11H2,1-6H3
InChIKeyAQGSPXGZVIFEHP-UHFFFAOYSA-N
XLogP2.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
triethoxy(2,3,3-trimethylbutan-2-yl)silane
CID 18000011
[diethoxy(triethoxysilyl)methyl] triethyl silicate
CID 58810725
tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
CID 139722194
(3-methyl-3-triethoxysilylbutyl)phosphane
CID 174985696
bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium
CID 87404506
3-methyl-2-triethoxysilylbutan-2-amine
CID 174653209
tert-butyl-[diethoxy(methyl)silyl]oxy-diethoxysilane
CID 141214610
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethyl(triethoxy)silane?
The IUPAC name of 1,1-diethoxyethyl(triethoxy)silane (CID 175450759) is 1,1-diethoxyethyl(triethoxy)silane.
What is the SMILES notation for 1,1-diethoxyethyl(triethoxy)silane?
The canonical SMILES for 1,1-diethoxyethyl(triethoxy)silane is CCOC(C)(OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of 1,1-diethoxyethyl(triethoxy)silane?
The InChIKey is AQGSPXGZVIFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O5Si/c1-7-13-12(6,14-8-2)18(15-9-3,16-10-4)17-11-5/h7-11H2,1-6H3.
What are the key properties of 1,1-diethoxyethyl(triethoxy)silane?
1,1-diethoxyethyl(triethoxy)silane has a molecular weight of 280.44 g/mol, XLogP of 2.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethyl(triethoxy)silane is sourced from PubChem (CID 175450759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).