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CHEBI:37830 - pentane

ChEBI IDCHEBI:37830
ChEBI Namepentane
Stars
DefinitionA straight chain alkane consisting of 5 carbon atoms.
Secondary ChEBI IDsCHEBI:25888, CHEBI:25889, CHEBI:43771
Last Modified17 July 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H12
Net Charge0
Average Mass72.151
Monoisotopic Mass72.09390
SMILESCCCCC
InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Applications:
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 Relation(s)
pentane (CHEBI:37830) has role non-polar solvent (CHEBI:48355)
pentane (CHEBI:37830) has role refrigerant (CHEBI:78433)
pentane (CHEBI:37830) is a alkane (CHEBI:18310)
pentane (CHEBI:37830) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
1,3,5-pentanetriol (CHEBI:131187) has parent hydride pentane (CHEBI:37830)
2-methyl-1-pentene (CHEBI:141562) has parent hydride pentane (CHEBI:37830)
3-deoxypentitol (CHEBI:111506) has parent hydride pentane (CHEBI:37830)
3-mercaptopentanol (CHEBI:156144) has parent hydride pentane (CHEBI:37830)
6-(methylthio)hexanonitrile oxide (CHEBI:136942) has parent hydride pentane (CHEBI:37830)
pentan-3-amine (CHEBI:84248) has parent hydride pentane (CHEBI:37830)
pentane-2,3-dione (CHEBI:52774) has parent hydride pentane (CHEBI:37830)
pentanol (CHEBI:143597) has parent hydride pentane (CHEBI:37830)
perfluoropentane (CHEBI:39428) has parent hydride pentane (CHEBI:37830)
pentan-2-yl group (CHEBI:32880) is substituent group from pentane (CHEBI:37830)
pentan-3-yl group (CHEBI:32881) is substituent group from pentane (CHEBI:37830)
pentyl group (CHEBI:25902) is substituent group from pentane (CHEBI:37830)
IUPAC Name 
pentane
Synonyms  Source
n-pentaneNIST Chemistry WebBook
PENTANEPDBeChem
CH3‒[CH2]3‒CH3IUPAC
PentanNIST Chemistry WebBook
R-601ChEBI
Manual XrefsDatabases
LNKPDBeChem
HMDB0029603HMDB
PentaneWikipedia
Registry NumbersSources
Gmelin:1766Gmelin
Beilstein:969132Beilstein
CAS:109-66-0ChemIDplus
CAS:109-66-0NIST Chemistry WebBook
Citations