diethoxyphosphoryl ethyl prop-2-enyl phosphate

C9H20O7P2 — CID 14086656

IUPACdiethoxyphosphoryl ethyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCC)OP(=O)(OCC)OCC
InChIInChI=1S/C9H20O7P2/c1-5-9-15-18(11,14-8-4)16-17(10,12-6-2)13-7-3/h5H,1,6-9H2,2-4H3
InChIKeyCEDOZUGDJBESLH-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.53
Rot. Bonds11

About diethoxyphosphoryl ethyl prop-2-enyl phosphate

diethoxyphosphoryl ethyl prop-2-enyl phosphate (PubChem CID 14086656) has the molecular formula C9H20O7P2 and a molecular weight of 302.20 g/mol. Its IUPAC name is diethoxyphosphoryl ethyl prop-2-enyl phosphate.

Molecular Properties

Compound Namediethoxyphosphoryl ethyl prop-2-enyl phosphate
PubChem CID14086656
Molecular FormulaC9H20O7P2
Molecular Weight302.20 g/mol
Exact Mass302.07
IUPAC Namediethoxyphosphoryl ethyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCC)OP(=O)(OCC)OCC
InChIInChI=1S/C9H20O7P2/c1-5-9-15-18(11,14-8-4)16-17(10,12-6-2)13-7-3/h5H,1,6-9H2,2-4H3
InChIKeyCEDOZUGDJBESLH-UHFFFAOYSA-N
XLogP3.53
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 diethoxyphosphoryl ethyl prop-2-enyl phosphate?
The IUPAC name of diethoxyphosphoryl ethyl prop-2-enyl phosphate (CID 14086656) is diethoxyphosphoryl ethyl prop-2-enyl phosphate.
What is the SMILES notation for diethoxyphosphoryl ethyl prop-2-enyl phosphate?
The canonical SMILES for diethoxyphosphoryl ethyl prop-2-enyl phosphate is C=CCOP(=O)(OCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethoxyphosphoryl ethyl prop-2-enyl phosphate?
The InChIKey is CEDOZUGDJBESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7P2/c1-5-9-15-18(11,14-8-4)16-17(10,12-6-2)13-7-3/h5H,1,6-9H2,2-4H3.
What are the key properties of diethoxyphosphoryl ethyl prop-2-enyl phosphate?
diethoxyphosphoryl ethyl prop-2-enyl phosphate has a molecular weight of 302.20 g/mol, XLogP of 3.53, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl ethyl prop-2-enyl phosphate is sourced from PubChem (CID 14086656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).