2-diethoxyphosphorylpropanal

C7H15O4P — CID 13143164

IUPAC2-diethoxyphosphorylpropanal
SMILESCCOP(=O)(OCC)C(C)C=O
InChIInChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h6-7H,4-5H2,1-3H3
InChIKeyWIJPOUXYFZDYHQ-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.84
Rot. Bonds6

About 2-diethoxyphosphorylpropanal

2-diethoxyphosphorylpropanal (PubChem CID 13143164) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-diethoxyphosphorylpropanal.

Molecular Properties

Compound Name2-diethoxyphosphorylpropanal
PubChem CID13143164
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name2-diethoxyphosphorylpropanal
SMILESCCOP(=O)(OCC)C(C)C=O
InChIInChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h6-7H,4-5H2,1-3H3
InChIKeyWIJPOUXYFZDYHQ-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

3-(Diethoxyphosphinyl)propanal
CID 11816380
Diethyl (2-oxoethyl)phosphonate
CID 342159
Ethyl methyl(2-oxoethyl)phosphinate
CID 13231422
2-Diethoxyphosphoryl-2-fluoroacetaldehyde
CID 89169594
Dimethyl (1-oxopropyl)phosphonate
CID 298017
Propionylphosphonic Acid Diethyl Ester
CID 4410891
Oxopropylphosphonic acid dimethyl ester
CID 11147922
2-(Diethoxyphosphoryl)butanal
CID 4885879
Diethyl 1-methyl-3-oxopropylphosphonate
CID 12682411
Diethyl (1-oxopentan-2-yl)phosphonate
CID 4642092
Ethyl methyl(3-oxopropyl)phosphinate
CID 12898185
2-[Methoxy(methyl)phosphoryl]acetaldehyde
CID 13231421

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylpropanal?
The IUPAC name of 2-diethoxyphosphorylpropanal (CID 13143164) is 2-diethoxyphosphorylpropanal.
What is the SMILES notation for 2-diethoxyphosphorylpropanal?
The canonical SMILES for 2-diethoxyphosphorylpropanal is CCOP(=O)(OCC)C(C)C=O.
What is the InChIKey of 2-diethoxyphosphorylpropanal?
The InChIKey is WIJPOUXYFZDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)7(3)6-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-diethoxyphosphorylpropanal?
2-diethoxyphosphorylpropanal has a molecular weight of 194.17 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylpropanal is sourced from PubChem (CID 13143164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).