[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate

C11H24O7P2 — CID 131857303

IUPAC[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate
SMILESC/C=C(\OP(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H24O7P2/c1-6-11(19(12,14-7-2)15-8-3)18-20(13,16-9-4)17-10-5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyMDFJTNBADJLIDE-IZZDOVSWSA-N
MW330.25 g/mol
LogP4.31
Rot. Bonds11

About [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate

[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate (PubChem CID 131857303) has the molecular formula C11H24O7P2 and a molecular weight of 330.25 g/mol. Its IUPAC name is [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate
PubChem CID131857303
Molecular FormulaC11H24O7P2
Molecular Weight330.25 g/mol
Exact Mass330.10
IUPAC Name[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate
SMILESC/C=C(\OP(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C11H24O7P2/c1-6-11(19(12,14-7-2)15-8-3)18-20(13,16-9-4)17-10-5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyMDFJTNBADJLIDE-IZZDOVSWSA-N
XLogP4.31
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 54.31
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate?
The IUPAC name of [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate (CID 131857303) is [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate.
What is the SMILES notation for [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate?
The canonical SMILES for [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate is C/C=C(\OP(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate?
The InChIKey is MDFJTNBADJLIDE-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H24O7P2/c1-6-11(19(12,14-7-2)15-8-3)18-20(13,16-9-4)17-10-5/h6H,7-10H2,1-5H3/b11-6+.
What are the key properties of [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate?
[(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate has a molecular weight of 330.25 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-diethoxyphosphorylprop-1-enyl] diethyl phosphate is sourced from PubChem (CID 131857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).