Diethyl Malonate

Diethyl Malonate is a chemical compound registered under number CAS 105-53-3, with the molecular formula C₇H₁₂O₄, and a molar mass of 160.17 g/mol.

The molecule contains 23 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is diethyl propanedioate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1 (positive value, a lipophilic compound), polar surface area PSA = 52.6 Ų, 0 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C7H12O4
Masa molowa	160.17 g/mol
IUPAC	diethyl propanedioate
SMILES	CCOC(=O)CC(=O)OCC
InChIKey	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
logP (XLogP3)	1
PSA	52.6 Ų
HBD / HBA	0 / 4
PubChem CID	CID 7761 ↗

Signal word: Warning

H319 — Działa drażniąco na oczy

H227 — Substancja ciekła palna

H402 — Działa szkodliwie na organizmy wodne

DIETHYL MALONATE · 105-53-3 · Diethyl propanedioate · Ethyl malonate · Malonic ester · Propanedioic acid, diethyl ester · Carbethoxyacetic ester · Malonic acid, diethyl ester · Dicarbethoxymethane · 1,3-diethyl propanedioate · Ethyl propanedioate · Ethyl methanedicarboxylate · Methanedicarboxylic acid, diethyl ester · FEMA No. 2375 · Propanedioic acid, 1,3-diethyl ester

• 📊 PubChem CID 7761 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność