3-diethoxyphosphorylpropanal

C7H15O4P — CID 11816380

IUPAC3-diethoxyphosphorylpropanal
SMILESCCOP(=O)(CCC=O)OCC
InChIInChI=1S/C7H15O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h6H,3-5,7H2,1-2H3
InChIKeyFUBLLKKWKHVTTK-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.84
Rot. Bonds7

About 3-diethoxyphosphorylpropanal

3-diethoxyphosphorylpropanal (PubChem CID 11816380) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-diethoxyphosphorylpropanal.

Molecular Properties

Compound Name3-diethoxyphosphorylpropanal
PubChem CID11816380
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name3-diethoxyphosphorylpropanal
SMILESCCOP(=O)(CCC=O)OCC
InChIInChI=1S/C7H15O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h6H,3-5,7H2,1-2H3
InChIKeyFUBLLKKWKHVTTK-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylpropanal?
The IUPAC name of 3-diethoxyphosphorylpropanal (CID 11816380) is 3-diethoxyphosphorylpropanal.
What is the SMILES notation for 3-diethoxyphosphorylpropanal?
The canonical SMILES for 3-diethoxyphosphorylpropanal is CCOP(=O)(CCC=O)OCC.
What is the InChIKey of 3-diethoxyphosphorylpropanal?
The InChIKey is FUBLLKKWKHVTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-3-10-12(9,11-4-2)7-5-6-8/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-diethoxyphosphorylpropanal?
3-diethoxyphosphorylpropanal has a molecular weight of 194.17 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpropanal is sourced from PubChem (CID 11816380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).