Acrolein dimethyl acetal

Acrolein dimethyl acetal is a chemical compound registered under number CAS 6044-68-4, with the molecular formula C₅H₁₀O₂, and a molar mass of 102.13 g/mol.

The molecule contains 17 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 3,3-dimethoxyprop-1-ene. 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 = 0.7 (positive value, a lipophilic compound), polar surface area PSA = 18.5 Ų, 0 donors and 2 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	C5H10O2
Masa molowa	102.13 g/mol
IUPAC	3,3-dimethoxyprop-1-ene
SMILES	COC(C=C)OC
InChIKey	OBWGMYALGNDUNM-UHFFFAOYSA-N
logP (XLogP3)	0.7
PSA	18.5 Ų
HBD / HBA	0 / 2
PubChem CID	CID 80145 ↗

Signal word: Danger

H225 — Wysoce łatwopalna ciecz i pary

Acrolein dimethyl acetal · 3,3-Dimethoxy-1-propene · 3,3-Dimethoxypropene · 3,3Dimethoxypropene · 3,3Dimethoxy1propene · 3,3Dimethoxypropene1 · 1Propene, 3,3dimethoxy · RefChem:552704 · 227-936-4 · 6044-68-4 · 3,3-dimethoxyprop-1-ene · 1-Propene, 3,3-dimethoxy- · 3,3-Dimethoxypropene-1 · acroleindimethylacetal · EINECS 227-936-4

• 📊 PubChem CID 80145 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność