tris[(E)-2-chloroethenyl] phosphate

C6H6Cl3O4P — CID 88804687

IUPACtris[(E)-2-chloroethenyl] phosphate
SMILESO=P(O/C=C/Cl)(O/C=C/Cl)O/C=C/Cl
InChIInChI=1S/C6H6Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H/b4-1+,5-2+,6-3+
InChIKeyWOURSJCHMOAPQS-GZDDRBCLSA-N
MW279.44 g/mol
LogP4.27
Rot. Bonds6

About tris[(E)-2-chloroethenyl] phosphate

tris[(E)-2-chloroethenyl] phosphate (PubChem CID 88804687) has the molecular formula C6H6Cl3O4P and a molecular weight of 279.44 g/mol. Its IUPAC name is tris[(E)-2-chloroethenyl] phosphate.

Molecular Properties

Compound Nametris[(E)-2-chloroethenyl] phosphate
PubChem CID88804687
Molecular FormulaC6H6Cl3O4P
Molecular Weight279.44 g/mol
Exact Mass277.91
IUPAC Nametris[(E)-2-chloroethenyl] phosphate
SMILESO=P(O/C=C/Cl)(O/C=C/Cl)O/C=C/Cl
InChIInChI=1S/C6H6Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H/b4-1+,5-2+,6-3+
InChIKeyWOURSJCHMOAPQS-GZDDRBCLSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.27
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'}

Analyze tris[(E)-2-chloroethenyl] 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 tris[(E)-2-chloroethenyl] phosphate?
The IUPAC name of tris[(E)-2-chloroethenyl] phosphate (CID 88804687) is tris[(E)-2-chloroethenyl] phosphate.
What is the SMILES notation for tris[(E)-2-chloroethenyl] phosphate?
The canonical SMILES for tris[(E)-2-chloroethenyl] phosphate is O=P(O/C=C/Cl)(O/C=C/Cl)O/C=C/Cl.
What is the InChIKey of tris[(E)-2-chloroethenyl] phosphate?
The InChIKey is WOURSJCHMOAPQS-GZDDRBCLSA-N. The full InChI is InChI=1S/C6H6Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H/b4-1+,5-2+,6-3+.
What are the key properties of tris[(E)-2-chloroethenyl] phosphate?
tris[(E)-2-chloroethenyl] phosphate has a molecular weight of 279.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(E)-2-chloroethenyl] phosphate is sourced from PubChem (CID 88804687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).