CHEBI:30362 - isopentane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C5H12
Net Charge 0
Average Mass 72.14878
Monoisotopic Mass 72.094
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.
View more via ChEBI Ontology
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
Synonyms Sources
(CH3)2CH‒CH2‒CH3 IUPAC
1,1,2-trimethylethane NIST Chemistry WebBook
1,1-dimethylpropane NIST Chemistry WebBook
dimethylethylmethane ChemIDplus
iso-C5H12 NIST Chemistry WebBook
iso-pentane NIST Chemistry WebBook
isoamylhydride ChemIDplus
R-601a ChEBI
Database Link Database
Isopentane Wikipedia
View more database links
Registry Numbers Types Sources
1730723 Beilstein Registry Number Beilstein
1730723 Reaxys Registry Number Reaxys
49318 Gmelin Registry Number Gmelin
78-78-4 CAS Registry Number NIST Chemistry WebBook
78-78-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21481069 PubMed citation Europe PMC
23904008 PubMed citation Europe PMC
24833189 PubMed citation Europe PMC
24932627 PubMed citation Europe PMC
Last Modified
28 July 2016