(2-acetyloxy-2-oxoethyl) propanoate

C7H10O5 — CID 57195909

IUPAC(2-acetyloxy-2-oxoethyl) propanoate
SMILESCCC(=O)OCC(=O)OC(C)=O
InChIInChI=1S/C7H10O5/c1-3-6(9)11-4-7(10)12-5(2)8/h3-4H2,1-2H3
InChIKeyQETMSGUUMZVPON-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.03
Rot. Bonds3

About (2-acetyloxy-2-oxoethyl) propanoate

(2-acetyloxy-2-oxoethyl) propanoate (PubChem CID 57195909) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2-acetyloxy-2-oxoethyl) propanoate.

Molecular Properties

Compound Name(2-acetyloxy-2-oxoethyl) propanoate
PubChem CID57195909
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2-acetyloxy-2-oxoethyl) propanoate
SMILESCCC(=O)OCC(=O)OC(C)=O
InChIInChI=1S/C7H10O5/c1-3-6(9)11-4-7(10)12-5(2)8/h3-4H2,1-2H3
InChIKeyQETMSGUUMZVPON-UHFFFAOYSA-N
XLogP0.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
acetyl propanoate;copper
CID 174868474
acetyl propanoate;cobalt
CID 88660334
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
acetyl 2-ethoxyacetate
CID 57009984
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
silylmethyl propanoate
CID 152513576
acetyl 2-aminoacetate
CID 13153876
[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
CID 146216360
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227
2-ethylbut-2-enyl propanoate
CID 90757213

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-2-oxoethyl) propanoate?
The IUPAC name of (2-acetyloxy-2-oxoethyl) propanoate (CID 57195909) is (2-acetyloxy-2-oxoethyl) propanoate.
What is the SMILES notation for (2-acetyloxy-2-oxoethyl) propanoate?
The canonical SMILES for (2-acetyloxy-2-oxoethyl) propanoate is CCC(=O)OCC(=O)OC(C)=O.
What is the InChIKey of (2-acetyloxy-2-oxoethyl) propanoate?
The InChIKey is QETMSGUUMZVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-3-6(9)11-4-7(10)12-5(2)8/h3-4H2,1-2H3.
What are the key properties of (2-acetyloxy-2-oxoethyl) propanoate?
(2-acetyloxy-2-oxoethyl) propanoate has a molecular weight of 174.15 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-2-oxoethyl) propanoate is sourced from PubChem (CID 57195909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).