2-[methoxy(methyl)phosphoryl]acetaldehyde

C4H9O3P — CID 13231421

IUPAC2-[methoxy(methyl)phosphoryl]acetaldehyde
SMILESCOP(C)(=O)CC=O
InChIInChI=1S/C4H9O3P/c1-7-8(2,6)4-3-5/h3H,4H2,1-2H3
InChIKeyDKBHPUJOIGUURC-UHFFFAOYSA-N
MW136.09 g/mol
LogP0.74
Rot. Bonds3

About 2-[methoxy(methyl)phosphoryl]acetaldehyde

2-[methoxy(methyl)phosphoryl]acetaldehyde (PubChem CID 13231421) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is 2-[methoxy(methyl)phosphoryl]acetaldehyde.

Molecular Properties

Compound Name2-[methoxy(methyl)phosphoryl]acetaldehyde
PubChem CID13231421
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name2-[methoxy(methyl)phosphoryl]acetaldehyde
SMILESCOP(C)(=O)CC=O
InChIInChI=1S/C4H9O3P/c1-7-8(2,6)4-3-5/h3H,4H2,1-2H3
InChIKeyDKBHPUJOIGUURC-UHFFFAOYSA-N
XLogP0.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 50.74
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 diethylphosphinate
CID 20904
Ethyl methyl(2-oxoethyl)phosphinate
CID 13231422
2-Diethoxyphosphoryl-2-fluoroacetaldehyde
CID 89169594
Phosphinic acid, ethylmethyl-, ethyl ester
CID 556561
Oxopropylphosphonic acid dimethyl ester
CID 11147922
Acetyl-methyl-phosphinic acid methyl ester
CID 23413399
Ethyl methyl(3-oxopropyl)phosphinate
CID 12898185
2-Diethoxyphosphoryl-propionaldehyde
CID 13143164
2-[Butoxy(methyl)phosphoryl]acetaldehyde
CID 13231424
Diethyl-oxyphosphonoacetaldehyde
CID 132471618

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)phosphoryl]acetaldehyde?
The IUPAC name of 2-[methoxy(methyl)phosphoryl]acetaldehyde (CID 13231421) is 2-[methoxy(methyl)phosphoryl]acetaldehyde.
What is the SMILES notation for 2-[methoxy(methyl)phosphoryl]acetaldehyde?
The canonical SMILES for 2-[methoxy(methyl)phosphoryl]acetaldehyde is COP(C)(=O)CC=O.
What is the InChIKey of 2-[methoxy(methyl)phosphoryl]acetaldehyde?
The InChIKey is DKBHPUJOIGUURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-7-8(2,6)4-3-5/h3H,4H2,1-2H3.
What are the key properties of 2-[methoxy(methyl)phosphoryl]acetaldehyde?
2-[methoxy(methyl)phosphoryl]acetaldehyde has a molecular weight of 136.09 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)phosphoryl]acetaldehyde is sourced from PubChem (CID 13231421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).