Dimethyl acetylenedicarboxylate

Dimethyl acetylenedicarboxylate is a chemical compound registered under number CAS 762-42-5, with the molecular formula C₆H₆O₄, and a molar mass of 142.11 g/mol.

The molecule contains 16 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is dimethyl but-2-ynedioate. 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 = 0.8 (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	C6H6O4
Masa molowa	142.11 g/mol
IUPAC	dimethyl but-2-ynedioate
SMILES	COC(=O)C#CC(=O)OC
InChIKey	VHILMKFSCRWWIJ-UHFFFAOYSA-N
logP (XLogP3)	0.8
PSA	52.6 Ų
HBD / HBA	0 / 4
PubChem CID	CID 12980 ↗

Signal word: Danger

H302 — Działa szkodliwie po połknięciu

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Dimethyl acetylenedicarboxylate · 762-42-5 · 2-Butynedioic acid, dimethyl ester · Dimethyl 2-butynedioate · Bis(methoxycarbonyl)acetylene · Di(carbomethoxy)acetylene · 1,2-Bis(methoxycarbonyl)acetylene · Acetylenedicarboxylic acid dimethyl ester · Dimethyl ethynedicarboxylate · Acetylenedicarboxylic acid, dimethyl ester · 1,2-Bis(methoxycarbonyl)ethyne · 7HZA2PL15F · 2-Butynedioic acid, 1,4-dimethyl ester · NSC-14912 · NSC-101119

• 📊 PubChem CID 12980 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność