methyl 2-oxoethyl carbonate

C4H6O4 — CID 20662885

IUPACmethyl 2-oxoethyl carbonate
SMILESCOC(=O)OCC=O
InChIInChI=1S/C4H6O4/c1-7-4(6)8-3-2-5/h2H,3H2,1H3
InChIKeyRMJLTUIHDMXZSL-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.03
Rot. Bonds2

About methyl 2-oxoethyl carbonate

methyl 2-oxoethyl carbonate (PubChem CID 20662885) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is methyl 2-oxoethyl carbonate.

Molecular Properties

Compound Namemethyl 2-oxoethyl carbonate
PubChem CID20662885
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Namemethyl 2-oxoethyl carbonate
SMILESCOC(=O)OCC=O
InChIInChI=1S/C4H6O4/c1-7-4(6)8-3-2-5/h2H,3H2,1H3
InChIKeyRMJLTUIHDMXZSL-UHFFFAOYSA-N
XLogP-0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxoethyl carbonate
CID 87169722
buta-2,3-dienyl methyl carbonate
CID 10855467
2-oxoethyl 2-oxopropanoate
CID 87383810
methyl [(Z)-4-(3-methylbut-2-enoxy)but-2-enyl] carbonate
CID 101449662
2-oxoethyl 2-(4-hydroxyphenoxy)propanoate
CID 88738844
2-oxoethyl 2-(aminomethyl)butanoate
CID 156905587
2-oxoethyl 2,3-dihydroxypropanoate
CID 20759177
CID 175269376
CID 175269376
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
ethanol;ethyl methyl carbonate
CID 161101393
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxoethyl carbonate?
The IUPAC name of methyl 2-oxoethyl carbonate (CID 20662885) is methyl 2-oxoethyl carbonate.
What is the SMILES notation for methyl 2-oxoethyl carbonate?
The canonical SMILES for methyl 2-oxoethyl carbonate is COC(=O)OCC=O.
What is the InChIKey of methyl 2-oxoethyl carbonate?
The InChIKey is RMJLTUIHDMXZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c1-7-4(6)8-3-2-5/h2H,3H2,1H3.
What are the key properties of methyl 2-oxoethyl carbonate?
methyl 2-oxoethyl carbonate has a molecular weight of 118.09 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxoethyl carbonate is sourced from PubChem (CID 20662885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).