(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene

C10H21ClO6P2 — CID 23415611

IUPAC(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene
SMILESCCOP(=O)(/C=C(/Cl)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H21ClO6P2/c1-5-14-18(12,15-6-2)9-10(11)19(13,16-7-3)17-8-4/h9H,5-8H2,1-4H3/b10-9-
InChIKeyDOAFPTSUCNTMCL-KTKRTIGZSA-N
MW334.67 g/mol
LogP4.56
Rot. Bonds10

About (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene

(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene (PubChem CID 23415611) has the molecular formula C10H21ClO6P2 and a molecular weight of 334.67 g/mol. Its IUPAC name is (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene.

Molecular Properties

Compound Name(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene
PubChem CID23415611
Molecular FormulaC10H21ClO6P2
Molecular Weight334.67 g/mol
Exact Mass334.05
IUPAC Name(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene
SMILESCCOP(=O)(/C=C(/Cl)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C10H21ClO6P2/c1-5-14-18(12,15-6-2)9-10(11)19(13,16-7-3)17-8-4/h9H,5-8H2,1-4H3/b10-9-
InChIKeyDOAFPTSUCNTMCL-KTKRTIGZSA-N
XLogP4.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene?
The IUPAC name of (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene (CID 23415611) is (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene.
What is the SMILES notation for (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene?
The canonical SMILES for (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene is CCOP(=O)(/C=C(/Cl)P(=O)(OCC)OCC)OCC.
What is the InChIKey of (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene?
The InChIKey is DOAFPTSUCNTMCL-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H21ClO6P2/c1-5-14-18(12,15-6-2)9-10(11)19(13,16-7-3)17-8-4/h9H,5-8H2,1-4H3/b10-9-.
What are the key properties of (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene?
(E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene has a molecular weight of 334.67 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-1,2-bis(diethoxyphosphoryl)ethene is sourced from PubChem (CID 23415611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).