1-diethylphosphorylethyl(triethoxy)silane

C12H29O4PSi — CID 87390824

IUPAC1-diethylphosphorylethyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(C)P(=O)(CC)CC
InChIInChI=1S/C12H29O4PSi/c1-7-14-18(15-8-2,16-9-3)12(6)17(13,10-4)11-5/h12H,7-11H2,1-6H3
InChIKeyDFDNUGHOXBZEMT-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.37
Rot. Bonds10

About 1-diethylphosphorylethyl(triethoxy)silane

1-diethylphosphorylethyl(triethoxy)silane (PubChem CID 87390824) has the molecular formula C12H29O4PSi and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-diethylphosphorylethyl(triethoxy)silane.

Molecular Properties

Compound Name1-diethylphosphorylethyl(triethoxy)silane
PubChem CID87390824
Molecular FormulaC12H29O4PSi
Molecular Weight296.42 g/mol
Exact Mass296.16
IUPAC Name1-diethylphosphorylethyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C(C)P(=O)(CC)CC
InChIInChI=1S/C12H29O4PSi/c1-7-14-18(15-8-2,16-9-3)12(6)17(13,10-4)11-5/h12H,7-11H2,1-6H3
InChIKeyDFDNUGHOXBZEMT-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dipropylphosphorylethyl(triethoxy)silane
CID 175367708
1-dimethylphosphorylethyl(triethoxy)silane
CID 175367716
2-triethoxysilylpropanoate
CID 22068871
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
O-methyl 2-triethoxysilylpropanethioate
CID 141147284
diethylphosphoryl triethyl silicate
CID 174995668
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
triethoxy(5-methylhexan-3-yl)silane
CID 175575145
1-triethoxysilyl-N-trimethylsilylethanamine
CID 89350066

Frequently Asked Questions

What is the IUPAC name of 1-diethylphosphorylethyl(triethoxy)silane?
The IUPAC name of 1-diethylphosphorylethyl(triethoxy)silane (CID 87390824) is 1-diethylphosphorylethyl(triethoxy)silane.
What is the SMILES notation for 1-diethylphosphorylethyl(triethoxy)silane?
The canonical SMILES for 1-diethylphosphorylethyl(triethoxy)silane is CCO[Si](OCC)(OCC)C(C)P(=O)(CC)CC.
What is the InChIKey of 1-diethylphosphorylethyl(triethoxy)silane?
The InChIKey is DFDNUGHOXBZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O4PSi/c1-7-14-18(15-8-2,16-9-3)12(6)17(13,10-4)11-5/h12H,7-11H2,1-6H3.
What are the key properties of 1-diethylphosphorylethyl(triethoxy)silane?
1-diethylphosphorylethyl(triethoxy)silane has a molecular weight of 296.42 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphorylethyl(triethoxy)silane is sourced from PubChem (CID 87390824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).