3-Methylpentanoic acid

CAS 105-43-1  ·  C6H12O2  ·  MW 116.16 g/mol

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3D model 3-Methylpentanoic acid, CAS 105-43-1, molecular formula C6H12O2, molar mass 116.16 g/mol
About 3-Methylpentanoic acid

3-Methylpentanoic acid is a chemical compound registered under number CAS 105-43-1, with the molecular formula C6H12O2, and a molar mass of 116.16 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 3-methylpentanoic 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 = 1.6 (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 formulaC6H12O2
Masa molowa116.16 g/mol
IUPAC3-methylpentanoic acid
SMILESCCC(C)CC(=O)O
InChIKeyIGIDLTISMCAULB-UHFFFAOYSA-N
logP (XLogP3)1.6
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 7755 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

Scientific literature

Related literature

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

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2020: 1 articles20202024: 1 articles2024

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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
3-Methylvaleric acid · 105-43-1 · 3-METHYLPENTANOIC ACID · Pentanoic acid, 3-methyl- · 3-methyl-pentanoic acid · 3-methyl valeric acid · Valeric acid, 3-methyl- · beta-Methylvaleric acid · Butylacetic acid, sec- · 2-Methylbutane-1-carboxylic acid · FEMA No. 3437 · 85FS4Y39LJ · CHEBI:166883 · RefChem:94980 · DTXCID60810602
Data sources
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Model
3-Methylpentanoic acid · 105-43-1
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MolGod Scientific
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3-Methylpentanoic acid (CAS 105-43-1) →
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3-Methylpentanoic acid →
Source data
PubChem CID 7755 ↗
SHA-256 (STL)
88070c6eb7ea81415fcde2d69921f8119d09b411f3bfc5f1ca9d23ac0eb7f5a7
Wikimedia Commons
not published yet
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