2-oxoethyl propanoate

C5H8O3 — CID 14759390

IUPAC2-oxoethyl propanoate
SMILESCCC(=O)OCC=O
InChIInChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h3H,2,4H2,1H3
InChIKeyYEBVXYOFWKIFLE-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.14
Rot. Bonds3

About 2-oxoethyl propanoate

2-oxoethyl propanoate (PubChem CID 14759390) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-oxoethyl propanoate.

Molecular Properties

Compound Name2-oxoethyl propanoate
PubChem CID14759390
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-oxoethyl propanoate
SMILESCCC(=O)OCC=O
InChIInChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h3H,2,4H2,1H3
InChIKeyYEBVXYOFWKIFLE-UHFFFAOYSA-N
XLogP0.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl pyruvate
CID 12041
Butyl oxoacetate
CID 80521
Propyl pyruvate
CID 523918
Ethyl oxoacetate
CID 70211
2-(Acetyloxy)propanal
CID 90728
2-Propanone, 1-(1-oxopropoxy)-
CID 3085860
Tert-butyl 2-oxoacetate
CID 10986247
2-Oxoethyl acetate
CID 11115995
Ethyl 2-oxo(2-~13~C)propanoate
CID 71309469
Ethyl 2-oxo(3-~13~C)propanoate
CID 71309388
2-oxoethyl Butanoate
CID 9898831
[(2R)-1-oxopropan-2-yl] acetate
CID 10877088

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl propanoate?
The IUPAC name of 2-oxoethyl propanoate (CID 14759390) is 2-oxoethyl propanoate.
What is the SMILES notation for 2-oxoethyl propanoate?
The canonical SMILES for 2-oxoethyl propanoate is CCC(=O)OCC=O.
What is the InChIKey of 2-oxoethyl propanoate?
The InChIKey is YEBVXYOFWKIFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h3H,2,4H2,1H3.
What are the key properties of 2-oxoethyl propanoate?
2-oxoethyl propanoate has a molecular weight of 116.12 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl propanoate is sourced from PubChem (CID 14759390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).