2-methylpentane

Also known as 2-Methyl-pentane, 2-Methylpentan, Isohexane

2-Methylpentane, trivially known as isohexane, is a branched-chain alkane with the molecular formula C6H14. It is a structural isomer of hexane composed of a methyl group bonded to the second carbon atom in a pentane chain.

In the Vinony graph

Vinony's link graph records 121 inbound references to 2-methylpentane, and connects out to chemical formula, pentene and International Standard Book Number.

It is catalogued under topics including Alkanes, Chembox having GHS data and Chembox image size set.

Vinony links it to 29 Wikipedia language editions.

Chemical data

Formula: C6H14
Molecular weight: 86.18 g/mol
IUPAC name: 2-methylpentane
SMILES: CCCC(C)C
InChIKey: AFABGHUZZDYHJO-UHFFFAOYSA-N
XLogP: 3.2
Polar surface area: 0 Å²
H-bond donors: 0
H-bond acceptors: 0
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Mass: 86.11

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found in taxon: tomato
boiling point: 60.26
melting point: -153.7
canonical SMILES: CCCC(C)C
NIOSH Pocket Guide ID: 0323
chemical formula: C₆H₁₄
Commons category: Isohexane
ionization energy: 10.12

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Encyclopedic overview

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Contents

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References

As of early 1990s, it was present in American and European gasoline in small amounts, and by 2011 its share in US gas varied between 2 and 8%. Using a quantitative structure-activity relationship (QSAR) prediction model, 2-Methylpentane has a research octane number (RON) of 75, motor octane number (MON) of 77, and cetane number (CN) of 29.

Excerpted from Wikipedia’s “2-methylpentane” article, available under the CC BY-SA 4.0 licence.