(E)-2-diethoxyphosphoryl-1-ethoxyethenolate

C8H16O5P- — CID 12745883

IUPAC(E)-2-diethoxyphosphoryl-1-ethoxyethenolate
SMILESCCO/C([O-])=C/P(=O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h7,9H,4-6H2,1-3H3/p-1/b8-7+
InChIKeyIAPSMNYIICNXEU-BQYQJAHWSA-M
MW223.18 g/mol
LogP1.45
Rot. Bonds7

About (E)-2-diethoxyphosphoryl-1-ethoxyethenolate

(E)-2-diethoxyphosphoryl-1-ethoxyethenolate (PubChem CID 12745883) has the molecular formula C8H16O5P- and a molecular weight of 223.18 g/mol. Its IUPAC name is (E)-2-diethoxyphosphoryl-1-ethoxyethenolate.

Molecular Properties

Compound Name(E)-2-diethoxyphosphoryl-1-ethoxyethenolate
PubChem CID12745883
Molecular FormulaC8H16O5P-
Molecular Weight223.18 g/mol
Exact Mass223.07
IUPAC Name(E)-2-diethoxyphosphoryl-1-ethoxyethenolate
SMILESCCO/C([O-])=C/P(=O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h7,9H,4-6H2,1-3H3/p-1/b8-7+
InChIKeyIAPSMNYIICNXEU-BQYQJAHWSA-M
XLogP1.45
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
The IUPAC name of (E)-2-diethoxyphosphoryl-1-ethoxyethenolate (CID 12745883) is (E)-2-diethoxyphosphoryl-1-ethoxyethenolate.
What is the SMILES notation for (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
The canonical SMILES for (E)-2-diethoxyphosphoryl-1-ethoxyethenolate is CCO/C([O-])=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
The InChIKey is IAPSMNYIICNXEU-BQYQJAHWSA-M. The full InChI is InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h7,9H,4-6H2,1-3H3/p-1/b8-7+.
What are the key properties of (E)-2-diethoxyphosphoryl-1-ethoxyethenolate?
(E)-2-diethoxyphosphoryl-1-ethoxyethenolate has a molecular weight of 223.18 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diethoxyphosphoryl-1-ethoxyethenolate is sourced from PubChem (CID 12745883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).