Isooctanoic acid

CAS 25103-52-0  ·  C8H16O2  ·  MW 144.21 g/mol

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3D model Isooctanoic acid, CAS 25103-52-0, molecular formula C8H16O2, molar mass 144.21 g/mol
About Isooctanoic acid

Isooctanoic acid is a chemical compound registered under number CAS 25103-52-0, with the molecular formula C8H16O2, and a molar mass of 144.21 g/mol.

The molecule contains 26 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is 6-methylheptanoic 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 = 2.7 (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 formulaC8H16O2
Masa molowa144.21 g/mol
IUPAC6-methylheptanoic acid
SMILESCC(C)CCCCC(=O)O
InChIKeyOEOIWYCWCDBOPA-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 90716 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H319 — Działa drażniąco na oczy

Scientific literature

Related literature

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

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

📈 Publication timeline (8 articles)

1973: 3 articles19731975: 1 articles1978: 2 articles19781979: 1 articles2009: 1 articles2009

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

Synonyms
Isooctanoic acid · 25103-52-0 · Cekanoic C8 acid · 7R20G8CX85 · RefChem:923750 · 246-617-0 · 6-Methylheptanoic acid · 929-10-2 · Isocaprylic acid · 6-methyl-heptanoic acid · MFCD00044083 · isooctylic acid · SCHEMBL245252 · LMFA01020242 · AKOS013153126
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Isooctanoic acid — CAS 25103-52-0

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

MolGod License & Provenance Record:
Isooctanoic acid (CAS 25103-52-0) — License & Provenance

Source:
Isooctanoic acid (CAS 25103-52-0) — MolGod molecule record

Source data: PubChem CID 90716

STL: Download 3D model (524 KB)

SHA-256: b3626fcf47b829a4df9ea8ed583de3ac5e8dc84e7b97fdfca68930bfd41f4ca2

Wikimedia Commons: not published yet

Source data: PubChem CID 90716

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