3,3-Diethoxy-1-propene

CAS 3054-95-3  ·  C7H14O2  ·  MW 130.18 g/mol

Loading molecule...
3D model 3,3-Diethoxy-1-propene, CAS 3054-95-3, molecular formula C7H14O2, molar mass 130.18 g/mol
About 3,3-Diethoxy-1-propene

3,3-Diethoxy-1-propene is a chemical compound registered under number CAS 3054-95-3, with the molecular formula C7H14O2, and a molar mass of 130.18 g/mol.

The molecule contains 23 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is 3,3-diethoxyprop-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 = 1.4 (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.

Physicochemical properties
Molecular formulaC7H14O2
Masa molowa130.18 g/mol
IUPAC3,3-diethoxyprop-1-ene
SMILESCCOC(C=C)OCC
InChIKeyMCIPQLOKVXSHTD-UHFFFAOYSA-N
logP (XLogP3)1.4
PSA18.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 62477 ↗
GHS safety

Signal word: Danger

GHS02
GHS02

H225 — Wysoce łatwopalna ciecz i pary

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (3 articles)

2001: 1 articles20012004: 1 articles20042012: 1 articles2012

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
Acrolein diethyl acetal · 3054-95-3 · Acrolein diethylacetal · Acrolein acetal · 3,3-Diethoxy-1-propene · 1,1-Diethoxy-2-propene · Acrolein, diethyl acetal · 3,3-Diethoxypropene · Propenal diethyl acetal · Acrylaldehyde diethyl acetal · Acrolein, diethylacetal · NSC-60135 · DTXCID0024 · 33XN703369 · PROPENE, 3,3-DIETHOXY-
Data sources
Related molecules
—
License & Provenance

MolGod 3D molecular model
3,3-Diethoxy-1-propene — CAS 3054-95-3

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
3,3-Diethoxy-1-propene (CAS 3054-95-3) — License & Provenance

Source:
3,3-Diethoxy-1-propene (CAS 3054-95-3) — MolGod molecule record

Source data: PubChem CID 62477

STL: Download 3D model (463 KB)

SHA-256: ec005dda3c75a32e809aef3489411f429a89d25224a531dd0347fe6f523f2409

Wikimedia Commons: not published yet

Source data: PubChem CID 62477

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.