bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene

C10H20Cl4O7P2 — CID 87118336

IUPACbis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene
SMILESC=C.O=P(OCCCl)(OCCCl)OP(=O)(OCCCl)OCCCl
InChIInChI=1S/C8H16Cl4O7P2.C2H4/c9-1-5-15-20(13,16-6-2-10)19-21(14,17-7-3-11)18-8-4-12;1-2/h1-8H2;1-2H2
InChIKeyPTFZPMLWFXNEKG-UHFFFAOYSA-N
MW456.02 g/mol
LogP5.04
Rot. Bonds14

About bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene

bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene (PubChem CID 87118336) has the molecular formula C10H20Cl4O7P2 and a molecular weight of 456.02 g/mol. Its IUPAC name is bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene.

Molecular Properties

Compound Namebis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene
PubChem CID87118336
Molecular FormulaC10H20Cl4O7P2
Molecular Weight456.02 g/mol
Exact Mass453.94
IUPAC Namebis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene
SMILESC=C.O=P(OCCCl)(OCCCl)OP(=O)(OCCCl)OCCCl
InChIInChI=1S/C8H16Cl4O7P2.C2H4/c9-1-5-15-20(13,16-6-2-10)19-21(14,17-7-3-11)18-8-4-12;1-2/h1-8H2;1-2H2
InChIKeyPTFZPMLWFXNEKG-UHFFFAOYSA-N
XLogP5.04
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.02
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene?
The IUPAC name of bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene (CID 87118336) is bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene.
What is the SMILES notation for bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene?
The canonical SMILES for bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene is C=C.O=P(OCCCl)(OCCCl)OP(=O)(OCCCl)OCCCl.
What is the InChIKey of bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene?
The InChIKey is PTFZPMLWFXNEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl4O7P2.C2H4/c9-1-5-15-20(13,16-6-2-10)19-21(14,17-7-3-11)18-8-4-12;1-2/h1-8H2;1-2H2.
What are the key properties of bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene?
bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene has a molecular weight of 456.02 g/mol, XLogP of 5.04, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate;ethene is sourced from PubChem (CID 87118336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).