Isononanoic acid

CAS 26896-18-4  ·  C9H18O2  ·  MW 158.24 g/mol

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3D model Isononanoic acid, CAS 26896-18-4, molecular formula C9H18O2, molar mass 158.24 g/mol
About Isononanoic acid

Isononanoic acid is a chemical compound registered under number CAS 26896-18-4, with the molecular formula C9H18O2, and a molar mass of 158.24 g/mol.

The molecule contains 29 atoms connected by 28 chemical bonds. The full systematic IUPAC name of this compound is 7-methyloctanoic acid. 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 = 3.3 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 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 formulaC9H18O2
Masa molowa158.24 g/mol
IUPAC7-methyloctanoic acid
SMILESCC(C)CCCCCC(=O)O
InChIKeyXZOYHFBNQHPJRQ-UHFFFAOYSA-N
logP (XLogP3)3.3
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 33635 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
Scientific literature

Related literature

11 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (11 articles)

1950: 1 articles19501975: 1 articles1977: 1 articles1983: 1 articles1987: 1 articles2001: 1 articles20012007: 1 articles2009: 1 articles2013: 1 articles2014: 1 articles2016: 1 articles2016

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
7-methyloctanoic acid · ISONONANOIC ACID · 693-19-6 · 26896-18-4 · isopelargonic acid · Octanoic acid, 7-methyl- · M3MIU88L6U · UNII-M3MIU88L6U · CHEBI:37108 · 7-methyl-octanoate · isononanate · isononanoate · isopelargonate · 7-Methylcaprylate · 7-Methyl caprylate
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Isononanoic acid — CAS 26896-18-4

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

MolGod License & Provenance Record:
Isononanoic acid (CAS 26896-18-4) — License & Provenance

Source:
Isononanoic acid (CAS 26896-18-4) — MolGod molecule record

Source data: PubChem CID 33635

STL: Download 3D model (584 KB)

SHA-256: 3e1fff437912179510d2b7e29867e9c99c809aa21a56a818be995b0344dd6ae9

Wikimedia Commons: not published yet

Source data: PubChem CID 33635

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