isopentane (CHEBI:30362)

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ChEBI Name	isopentane

ChEBI ID	CHEBI:30362

Definition	An alkane that is butane substituted by a methyl group at position 2.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C5H12

Net Charge

Average Mass

72.14878

Monoisotopic Mass

72.09390

InChI

InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

InChIKey

QWTDNUCVQCZILF-UHFFFAOYSA-N

SMILES

CCC(C)C

Roles Classification
Application(s):	refrigerant A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure.

ChEBI Ontology
Outgoing	isopentane (CHEBI:30362) has role refrigerant (CHEBI:78433) isopentane (CHEBI:30362) is a alkane (CHEBI:18310)

Incoming	2-methyl-1,2-butanediol (CHEBI:131357) has parent hydride isopentane (CHEBI:30362) 2-methylbutan-1-ol (CHEBI:48945) has parent hydride isopentane (CHEBI:30362) 3-methyl-2-butanol (CHEBI:77517) has parent hydride isopentane (CHEBI:30362) 3-methylbutane-1,2-diol (CHEBI:65058) has parent hydride isopentane (CHEBI:30362) isoamylol (CHEBI:15837) has parent hydride isopentane (CHEBI:30362) isopentenol (CHEBI:77922) has parent hydride isopentane (CHEBI:30362) 3-methylbutan-2-yl group (CHEBI:32882) is substituent group from isopentane (CHEBI:30362) tert-pentyl group (CHEBI:30360) is substituent group from isopentane (CHEBI:30362) isopentyl group (CHEBI:30359) is substituent group from isopentane (CHEBI:30362)

IUPAC Names

2-methylbutane

isopentane

Last Modified

28 July 2016