3-ethyl-2,7-dimethyloctane (CHEBI:139062)

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ChEBI Name	3-ethyl-2,7-dimethyloctane

ChEBI ID	CHEBI:139062

Definition	An alkane that is octane substituted by an ethyl group at position 3 and by methyl groups at positions 2 and 7. It is a urinary sex pheromone found in male mice.

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

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Formula

C12H26

Net Charge

Average Mass

170.340

Monoisotopic Mass

170.20345

InChI

InChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3

InChIKey

XEMFRSYZKNPRTA-UHFFFAOYSA-N

SMILES

CCC(CCCC(C)C)C(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.

ChEBI Ontology
Outgoing	3-ethyl-2,7-dimethyloctane (CHEBI:139062) has role mouse metabolite (CHEBI:75771) 3-ethyl-2,7-dimethyloctane (CHEBI:139062) has role pheromone (CHEBI:26013) 3-ethyl-2,7-dimethyloctane (CHEBI:139062) is a alkane (CHEBI:18310) 3-ethyl-2,7-dimethyloctane (CHEBI:139062) is a volatile organic compound (CHEBI:134179)

IUPAC Name

3-ethyl-2,7-dimethyloctane

Synonym	Source
3-ethyl-2,7-dimethyl octane	NIST Chemistry WebBook

Registry Number	Type	Source
62183-55-5	CAS Registry Number	NIST Chemistry WebBook

Last Modified

28 February 2024