Molecular properties
- Formula
- C7H12O4
- Molar mass
- 160.17 g·mol−1
- Exact mass
- 160.0736 Da
- 2
- 0
- 4
- 52.60 Ų
- 1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 105-53-3
- PubChem CID
- 7761
Molecule record
DIETHYL MALONATE
C7H12O4
160.17 g/mol
Interactions
- Polarity
- Polar functional group with nonpolar contribution from the carbon skeleton.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Ester
Ether
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1,3-diethyl propanedioate
- 105-53-3
- 203-305-9
- 2676-55-3
- 53A58PA183
- Carbethoxyacetic ester
- DTXCID701863
- DTXSID7021863
Show all 22 synonyms
- Dicarbethoxymethane
- Diethyl propanedioate
- Ethyl malonate
- Ethyl methanedicarboxylate
- Ethyl propanedioate
- FEMA No. 2375
- Malonic acid, diethyl ester
- Malonic ester
- Methanedicarboxylic acid, diethyl ester
- NSC-136903
- NSC-8864
- Propanedioic acid, 1,3-diethyl ester
- Propanedioic acid, diethyl ester
- RefChem:5746
Structure identifiers
- Canonical SMILES
- CCOC(=O)CC(=O)OCC
- Isomeric SMILES
- CCOC(=O)CC(=O)OCC
- InChI
- InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
- InChIKey
- IYXGSMUGOJNHAZ-UHFFFAOYSA-N
- PubChem CID
- 7761
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1740 cm−1C=O ester (simulated)
1180 cm−1C-O ester (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for DIETHYL MALONATE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for DIETHYL MALONATE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.