1-diethoxyphosphorylethenyl diethyl phosphate

C10H22O7P2 — CID 11723261

IUPAC1-diethoxyphosphorylethenyl diethyl phosphate
SMILESC=C(OP(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H22O7P2/c1-6-13-18(11,14-7-2)10(5)17-19(12,15-8-3)16-9-4/h5-9H2,1-4H3
InChIKeyZOWFLVACJJGLPS-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.92
Rot. Bonds11

About 1-diethoxyphosphorylethenyl diethyl phosphate

1-diethoxyphosphorylethenyl diethyl phosphate (PubChem CID 11723261) has the molecular formula C10H22O7P2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-diethoxyphosphorylethenyl diethyl phosphate.

Molecular Properties

Compound Name1-diethoxyphosphorylethenyl diethyl phosphate
PubChem CID11723261
Molecular FormulaC10H22O7P2
Molecular Weight316.23 g/mol
Exact Mass316.08
IUPAC Name1-diethoxyphosphorylethenyl diethyl phosphate
SMILESC=C(OP(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C10H22O7P2/c1-6-13-18(11,14-7-2)10(5)17-19(12,15-8-3)16-9-4/h5-9H2,1-4H3
InChIKeyZOWFLVACJJGLPS-UHFFFAOYSA-N
XLogP3.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.92
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 1-diethoxyphosphorylethenyl diethyl phosphate?
The IUPAC name of 1-diethoxyphosphorylethenyl diethyl phosphate (CID 11723261) is 1-diethoxyphosphorylethenyl diethyl phosphate.
What is the SMILES notation for 1-diethoxyphosphorylethenyl diethyl phosphate?
The canonical SMILES for 1-diethoxyphosphorylethenyl diethyl phosphate is C=C(OP(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylethenyl diethyl phosphate?
The InChIKey is ZOWFLVACJJGLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7P2/c1-6-13-18(11,14-7-2)10(5)17-19(12,15-8-3)16-9-4/h5-9H2,1-4H3.
What are the key properties of 1-diethoxyphosphorylethenyl diethyl phosphate?
1-diethoxyphosphorylethenyl diethyl phosphate has a molecular weight of 316.23 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylethenyl diethyl phosphate is sourced from PubChem (CID 11723261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).