(2-ethoxy-2-oxoethyl) propanoate

C7H12O4 — CID 13301802

IUPAC(2-ethoxy-2-oxoethyl) propanoate
SMILESCCOC(=O)COC(=O)CC
InChIInChI=1S/C7H12O4/c1-3-6(8)11-5-7(9)10-4-2/h3-5H2,1-2H3
InChIKeyFNZORUKVFBUINO-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.50
Rot. Bonds4

About (2-ethoxy-2-oxoethyl) propanoate

(2-ethoxy-2-oxoethyl) propanoate (PubChem CID 13301802) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) propanoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) propanoate
PubChem CID13301802
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2-ethoxy-2-oxoethyl) propanoate
SMILESCCOC(=O)COC(=O)CC
InChIInChI=1S/C7H12O4/c1-3-6(8)11-5-7(9)10-4-2/h3-5H2,1-2H3
InChIKeyFNZORUKVFBUINO-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;tin(2+);dichloride
CID 171374953
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
ethyl butanoate;ethyl propanoate
CID 159309203
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) propanoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) propanoate (CID 13301802) is (2-ethoxy-2-oxoethyl) propanoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) propanoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) propanoate is CCOC(=O)COC(=O)CC.
What is the InChIKey of (2-ethoxy-2-oxoethyl) propanoate?
The InChIKey is FNZORUKVFBUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-6(8)11-5-7(9)10-4-2/h3-5H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) propanoate?
(2-ethoxy-2-oxoethyl) propanoate has a molecular weight of 160.17 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) propanoate is sourced from PubChem (CID 13301802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).