(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate

C8H15ClO5P- — CID 23416638

IUPAC(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate
SMILESCCO/C([O-])=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h10H,4-6H2,1-3H3/p-1/b8-7+
InChIKeyUUEWSSOFGUFYGJ-BQYQJAHWSA-M
MW257.63 g/mol
LogP2.01
Rot. Bonds7

About (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate

(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate (PubChem CID 23416638) has the molecular formula C8H15ClO5P- and a molecular weight of 257.63 g/mol. Its IUPAC name is (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate.

Molecular Properties

Compound Name(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate
PubChem CID23416638
Molecular FormulaC8H15ClO5P-
Molecular Weight257.63 g/mol
Exact Mass257.04
IUPAC Name(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate
SMILESCCO/C([O-])=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h10H,4-6H2,1-3H3/p-1/b8-7+
InChIKeyUUEWSSOFGUFYGJ-BQYQJAHWSA-M
XLogP2.01
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 52.01
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 (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate?
The IUPAC name of (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate (CID 23416638) is (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate.
What is the SMILES notation for (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate?
The canonical SMILES for (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate is CCO/C([O-])=C(\Cl)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate?
The InChIKey is UUEWSSOFGUFYGJ-BQYQJAHWSA-M. The full InChI is InChI=1S/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h10H,4-6H2,1-3H3/p-1/b8-7+.
What are the key properties of (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate?
(Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate has a molecular weight of 257.63 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-2-diethoxyphosphoryl-1-ethoxyethenolate is sourced from PubChem (CID 23416638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).