(2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate

C10H21ClO7P2 — CID 86102525

IUPAC(2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate
SMILESCCOP(=O)(OC=C(Cl)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H21ClO7P2/c1-5-14-19(12,15-6-2)10(11)9-18-20(13,16-7-3)17-8-4/h9H,5-8H2,1-4H3
InChIKeyADXLORBWCASODM-UHFFFAOYSA-N
MW350.67 g/mol
LogP4.49
Rot. Bonds11

About (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate

(2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate (PubChem CID 86102525) has the molecular formula C10H21ClO7P2 and a molecular weight of 350.67 g/mol. Its IUPAC name is (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate.

Molecular Properties

Compound Name(2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate
PubChem CID86102525
Molecular FormulaC10H21ClO7P2
Molecular Weight350.67 g/mol
Exact Mass350.05
IUPAC Name(2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate
SMILESCCOP(=O)(OC=C(Cl)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H21ClO7P2/c1-5-14-19(12,15-6-2)10(11)9-18-20(13,16-7-3)17-8-4/h9H,5-8H2,1-4H3
InChIKeyADXLORBWCASODM-UHFFFAOYSA-N
XLogP4.49
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.67
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate?
The IUPAC name of (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate (CID 86102525) is (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate.
What is the SMILES notation for (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate?
The canonical SMILES for (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate is CCOP(=O)(OC=C(Cl)P(=O)(OCC)OCC)OCC.
What is the InChIKey of (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate?
The InChIKey is ADXLORBWCASODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO7P2/c1-5-14-19(12,15-6-2)10(11)9-18-20(13,16-7-3)17-8-4/h9H,5-8H2,1-4H3.
What are the key properties of (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate?
(2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate has a molecular weight of 350.67 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-diethoxyphosphorylethenyl) diethyl phosphate is sourced from PubChem (CID 86102525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).