(Z)-2-chloro-2-diethoxyphosphorylethenolate

C6H11ClO4P- — CID 23416635

IUPAC(Z)-2-chloro-2-diethoxyphosphorylethenolate
SMILESCCOP(=O)(OCC)/C(Cl)=C/[O-]
InChIInChI=1S/C6H12ClO4P/c1-3-10-12(9,11-4-2)6(7)5-8/h5,8H,3-4H2,1-2H3/p-1/b6-5+
InChIKeyZHFDBIUYDABMFB-AATRIKPKSA-M
MW213.58 g/mol
LogP1.65
Rot. Bonds5

About (Z)-2-chloro-2-diethoxyphosphorylethenolate

(Z)-2-chloro-2-diethoxyphosphorylethenolate (PubChem CID 23416635) has the molecular formula C6H11ClO4P- and a molecular weight of 213.58 g/mol. Its IUPAC name is (Z)-2-chloro-2-diethoxyphosphorylethenolate.

Molecular Properties

Compound Name(Z)-2-chloro-2-diethoxyphosphorylethenolate
PubChem CID23416635
Molecular FormulaC6H11ClO4P-
Molecular Weight213.58 g/mol
Exact Mass213.01
IUPAC Name(Z)-2-chloro-2-diethoxyphosphorylethenolate
SMILESCCOP(=O)(OCC)/C(Cl)=C/[O-]
InChIInChI=1S/C6H12ClO4P/c1-3-10-12(9,11-4-2)6(7)5-8/h5,8H,3-4H2,1-2H3/p-1/b6-5+
InChIKeyZHFDBIUYDABMFB-AATRIKPKSA-M
XLogP1.65
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.58
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-diethoxyphosphorylethenolate?
The IUPAC name of (Z)-2-chloro-2-diethoxyphosphorylethenolate (CID 23416635) is (Z)-2-chloro-2-diethoxyphosphorylethenolate.
What is the SMILES notation for (Z)-2-chloro-2-diethoxyphosphorylethenolate?
The canonical SMILES for (Z)-2-chloro-2-diethoxyphosphorylethenolate is CCOP(=O)(OCC)/C(Cl)=C/[O-].
What is the InChIKey of (Z)-2-chloro-2-diethoxyphosphorylethenolate?
The InChIKey is ZHFDBIUYDABMFB-AATRIKPKSA-M. The full InChI is InChI=1S/C6H12ClO4P/c1-3-10-12(9,11-4-2)6(7)5-8/h5,8H,3-4H2,1-2H3/p-1/b6-5+.
What are the key properties of (Z)-2-chloro-2-diethoxyphosphorylethenolate?
(Z)-2-chloro-2-diethoxyphosphorylethenolate has a molecular weight of 213.58 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-2-diethoxyphosphorylethenolate is sourced from PubChem (CID 23416635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).