(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane

C9H23O6PSi — CID 173454501

IUPAC(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane
SMILESCCOP(=O)(OCC)C(OC)C([SiH3])(OC)OC
InChIInChI=1S/C9H23O6PSi/c1-6-14-16(10,15-7-2)8(11-3)9(17,12-4)13-5/h8H,6-7H2,1-5,17H3
InChIKeyHQNBPTUGWQKEBN-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.54
Rot. Bonds9

About (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane

(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane (PubChem CID 173454501) has the molecular formula C9H23O6PSi and a molecular weight of 286.34 g/mol. Its IUPAC name is (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane.

Molecular Properties

Compound Name(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane
PubChem CID173454501
Molecular FormulaC9H23O6PSi
Molecular Weight286.34 g/mol
Exact Mass286.10
IUPAC Name(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane
SMILESCCOP(=O)(OCC)C(OC)C([SiH3])(OC)OC
InChIInChI=1S/C9H23O6PSi/c1-6-14-16(10,15-7-2)8(11-3)9(17,12-4)13-5/h8H,6-7H2,1-5,17H3
InChIKeyHQNBPTUGWQKEBN-UHFFFAOYSA-N
XLogP0.54
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane?
The IUPAC name of (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane (CID 173454501) is (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane.
What is the SMILES notation for (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane?
The canonical SMILES for (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane is CCOP(=O)(OCC)C(OC)C([SiH3])(OC)OC.
What is the InChIKey of (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane?
The InChIKey is HQNBPTUGWQKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23O6PSi/c1-6-14-16(10,15-7-2)8(11-3)9(17,12-4)13-5/h8H,6-7H2,1-5,17H3.
What are the key properties of (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane?
(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane has a molecular weight of 286.34 g/mol, XLogP of 0.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane is sourced from PubChem (CID 173454501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).