Diisopropyl malonate

CAS 13195-64-7  ·  C9H16O4  ·  MW 188.22 g/mol

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3D model Diisopropyl malonate, CAS 13195-64-7, molecular formula C9H16O4, molar mass 188.22 g/mol
About Diisopropyl malonate

Diisopropyl malonate is a chemical compound registered under number CAS 13195-64-7, with the molecular formula C9H16O4, and a molar mass of 188.22 g/mol.

The molecule contains 29 atoms connected by 28 chemical bonds. The full systematic IUPAC name of this compound is dipropan-2-yl 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 = 1.7 (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.

Physicochemical properties
Molecular formulaC9H16O4
Masa molowa188.22 g/mol
IUPACdipropan-2-yl propanedioate
SMILESCC(C)OC(=O)CC(=O)OC(C)C
InChIKeyQRVSDVDFJFKYKA-UHFFFAOYSA-N
logP (XLogP3)1.7
PSA52.6 Ų
HBD / HBA0 / 4
PubChem CIDCID 83223 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

2004: 1 articles20042005: 1 articles2012: 1 articles2015: 1 articles2018: 1 articles20182021: 1 articles2022: 1 articles2024: 1 articles2025: 2 articles2025

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.

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Diisopropyl malonate — CAS 13195-64-7

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

MolGod License & Provenance Record:
Diisopropyl malonate (CAS 13195-64-7) — License & Provenance

Source:
Diisopropyl malonate (CAS 13195-64-7) — MolGod molecule record

Source data: PubChem CID 83223

STL: Download 3D model (584 KB)

SHA-256: 77e38e84a24bdbd4ecc33a6ff4aebd273120b9bb2f135331b8a69283aea2f7bf

Wikimedia Commons: not published yet

Source data: PubChem CID 83223

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