3-[ethoxy(methyl)phosphoryl]propanal

C6H13O3P — CID 12898185

IUPAC3-[ethoxy(methyl)phosphoryl]propanal
SMILESCCOP(C)(=O)CCC=O
InChIInChI=1S/C6H13O3P/c1-3-9-10(2,8)6-4-5-7/h5H,3-4,6H2,1-2H3
InChIKeySEVNXTGXNDHIEI-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.52
Rot. Bonds5

About 3-[ethoxy(methyl)phosphoryl]propanal

3-[ethoxy(methyl)phosphoryl]propanal (PubChem CID 12898185) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 3-[ethoxy(methyl)phosphoryl]propanal.

Molecular Properties

Compound Name3-[ethoxy(methyl)phosphoryl]propanal
PubChem CID12898185
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name3-[ethoxy(methyl)phosphoryl]propanal
SMILESCCOP(C)(=O)CCC=O
InChIInChI=1S/C6H13O3P/c1-3-9-10(2,8)6-4-5-7/h5H,3-4,6H2,1-2H3
InChIKeySEVNXTGXNDHIEI-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Oxopropylphosphonic acid dimethyl ester
CID 11147922
2-Diethoxyphosphoryl-propionaldehyde
CID 13143164
2-[Methoxy(methyl)phosphoryl]acetaldehyde
CID 13231421
2-[Butoxy(methyl)phosphoryl]acetaldehyde
CID 13231424
Butyl methyl(3-oxopropyl)phosphinate
CID 14693355
3-Dimethylphosphorylpropanal
CID 53829414
3-Diethoxyphosphoryl-3-fluoropropanal
CID 46867278
Dimethyl (2-oxoethyl)phosphonate
CID 11030014
Phosphonic acid, (1-methyl-2-oxoethyl)-, dimethyl ester
CID 11321161

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(methyl)phosphoryl]propanal?
The IUPAC name of 3-[ethoxy(methyl)phosphoryl]propanal (CID 12898185) is 3-[ethoxy(methyl)phosphoryl]propanal.
What is the SMILES notation for 3-[ethoxy(methyl)phosphoryl]propanal?
The canonical SMILES for 3-[ethoxy(methyl)phosphoryl]propanal is CCOP(C)(=O)CCC=O.
What is the InChIKey of 3-[ethoxy(methyl)phosphoryl]propanal?
The InChIKey is SEVNXTGXNDHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-3-9-10(2,8)6-4-5-7/h5H,3-4,6H2,1-2H3.
What are the key properties of 3-[ethoxy(methyl)phosphoryl]propanal?
3-[ethoxy(methyl)phosphoryl]propanal has a molecular weight of 164.14 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(methyl)phosphoryl]propanal is sourced from PubChem (CID 12898185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).