Acrolein dimethyl acetal

CAS 6044-68-4  ·  C5H10O2  ·  MW 102.13 g/mol

Full record: Acrolein dimethyl acetal — Safety Data Sheet →

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3D model Acrolein dimethyl acetal, CAS 6044-68-4, molecular formula C5H10O2, molar mass 102.13 g/mol

Model views

  • Acrolein dimethyl acetal (CAS 6044-68-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Acrolein dimethyl acetal (CAS 6044-68-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Acrolein dimethyl acetal (CAS 6044-68-4) – 2D structure, MolGod Viewer
    2D structure

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Acrolein dimethyl acetal, C5H10O2, CAS 6044-68-4 - 3D molecular model
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About 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC5H10O2
Molar mass102.13 g/mol
IUPAC3,3-dimethoxyprop-1-ene
SMILESCOC(C=C)OC
InChIKeyOBWGMYALGNDUNM-UHFFFAOYSA-N
logP (XLogP3)0.7
PSA18.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 80145 ↗
GHS safety

Signal word: Danger

GHS02
GHS02

H225 — Highly flammable liquid and vapour

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
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
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Acrolein dimethyl acetal · 6044-68-4
InChIKey
OBWGMYALGNDUNM-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Acrolein dimethyl acetal (CAS 6044-68-4)
License & provenance record
Acrolein dimethyl acetal (CAS 6044-68-4) →
MolGod molecule record
Acrolein dimethyl acetal →
Source data
PubChem CID 80145 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
cc62592276f0295a83ea033db5ceff30bf739ba9418428975394f423a40c077c
MD5 (STL)
b7312e1c12ff770c0bc2aa624b7ca0d9
MolGod Identification Number
MG_592-332-848-38
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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