2-dimethoxyphosphorylacetaldehyde

C4H9O4P — CID 11030014

IUPAC2-dimethoxyphosphorylacetaldehyde
SMILESCOP(=O)(CC=O)OC
InChIInChI=1S/C4H9O4P/c1-7-9(6,8-2)4-3-5/h3H,4H2,1-2H3
InChIKeyZPGGPAAFPDZTLD-UHFFFAOYSA-N
MW152.09 g/mol
LogP0.67
Rot. Bonds4

About 2-dimethoxyphosphorylacetaldehyde

2-dimethoxyphosphorylacetaldehyde (PubChem CID 11030014) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is 2-dimethoxyphosphorylacetaldehyde.

Molecular Properties

Compound Name2-dimethoxyphosphorylacetaldehyde
PubChem CID11030014
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name2-dimethoxyphosphorylacetaldehyde
SMILESCOP(=O)(CC=O)OC
InChIInChI=1S/C4H9O4P/c1-7-9(6,8-2)4-3-5/h3H,4H2,1-2H3
InChIKeyZPGGPAAFPDZTLD-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 50.67
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 2-dimethoxyphosphorylacetaldehyde?
The IUPAC name of 2-dimethoxyphosphorylacetaldehyde (CID 11030014) is 2-dimethoxyphosphorylacetaldehyde.
What is the SMILES notation for 2-dimethoxyphosphorylacetaldehyde?
The canonical SMILES for 2-dimethoxyphosphorylacetaldehyde is COP(=O)(CC=O)OC.
What is the InChIKey of 2-dimethoxyphosphorylacetaldehyde?
The InChIKey is ZPGGPAAFPDZTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-7-9(6,8-2)4-3-5/h3H,4H2,1-2H3.
What are the key properties of 2-dimethoxyphosphorylacetaldehyde?
2-dimethoxyphosphorylacetaldehyde has a molecular weight of 152.09 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphorylacetaldehyde is sourced from PubChem (CID 11030014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).