heptane (CHEBI:43098)

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ChEBI Name	heptane

ChEBI ID	CHEBI:43098

Definition	A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).

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

Secondary ChEBI IDs	CHEBI:43095, CHEBI:32891

Supplier Information	ChemicalBook:CB8108692

Download	Molfile XML SDF

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Formula

C7H16

Net Charge

Average Mass

100.20194

Monoisotopic Mass

100.12520

InChI

InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChIKey

IMNFDUFMRHMDMM-UHFFFAOYSA-N

SMILES

CCCCCCC

Roles Classification
Chemical Role(s):	non-polar solvent

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	non-polar solvent

ChEBI Ontology
Outgoing	heptane (CHEBI:43098) has role non-polar solvent (CHEBI:48355) heptane (CHEBI:43098) has role plant metabolite (CHEBI:76924) heptane (CHEBI:43098) is a alkane (CHEBI:18310) heptane (CHEBI:43098) is a volatile organic compound (CHEBI:134179)

Incoming	1-nitroheptane (CHEBI:89173) has parent hydride heptane (CHEBI:43098) 2,4-dimethyl-1-heptene (CHEBI:141563) has parent hydride heptane (CHEBI:43098) 2-isopropyl-5-methyl-1-heptanol (CHEBI:84281) has parent hydride heptane (CHEBI:43098) 4-heptanone (CHEBI:89484) has parent hydride heptane (CHEBI:43098) heptane-1,2,3-triol (CHEBI:67095) has parent hydride heptane (CHEBI:43098) heptanol (CHEBI:195607) has parent hydride heptane (CHEBI:43098) perfluoroheptane (CHEBI:38847) has parent hydride heptane (CHEBI:43098) heptyl group (CHEBI:24526) is substituent group from heptane (CHEBI:43098)

IUPAC Name

heptane

Citations

Last Modified

20 September 2023