2-dimethoxyphosphorylpropanal

C5H11O4P — CID 11321161

IUPAC2-dimethoxyphosphorylpropanal
SMILESCOP(=O)(OC)C(C)C=O
InChIInChI=1S/C5H11O4P/c1-5(4-6)10(7,8-2)9-3/h4-5H,1-3H3
InChIKeyZSOXFOYBWFQGKN-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.06
Rot. Bonds4

About 2-dimethoxyphosphorylpropanal

2-dimethoxyphosphorylpropanal (PubChem CID 11321161) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 2-dimethoxyphosphorylpropanal.

Molecular Properties

Compound Name2-dimethoxyphosphorylpropanal
PubChem CID11321161
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name2-dimethoxyphosphorylpropanal
SMILESCOP(=O)(OC)C(C)C=O
InChIInChI=1S/C5H11O4P/c1-5(4-6)10(7,8-2)9-3/h4-5H,1-3H3
InChIKeyZSOXFOYBWFQGKN-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.06
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-Diethoxyphosphoryl-propionaldehyde
CID 13143164

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphorylpropanal?
The IUPAC name of 2-dimethoxyphosphorylpropanal (CID 11321161) is 2-dimethoxyphosphorylpropanal.
What is the SMILES notation for 2-dimethoxyphosphorylpropanal?
The canonical SMILES for 2-dimethoxyphosphorylpropanal is COP(=O)(OC)C(C)C=O.
What is the InChIKey of 2-dimethoxyphosphorylpropanal?
The InChIKey is ZSOXFOYBWFQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-5(4-6)10(7,8-2)9-3/h4-5H,1-3H3.
What are the key properties of 2-dimethoxyphosphorylpropanal?
2-dimethoxyphosphorylpropanal has a molecular weight of 166.11 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylpropanal is sourced from PubChem (CID 11321161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).