3,3-dimethyloctane (CHEBI:143850)

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ChEBI Name	3,3-dimethyloctane

ChEBI ID	CHEBI:143850

Definition	An alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.

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

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C10H22

Net Charge

Average Mass

142.286

Monoisotopic Mass

142.17215

InChI

InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

InChIKey

DBULLUBYDONGLT-UHFFFAOYSA-N

SMILES

CCCCCC(CC)(C)C

Metabolite of Species	Details
Bacillus megaterium (NCBI:txid1404)	of strain KU143 See: PubMed
Pseudomonas protegens (NCBI:txid380021)	of strain AS15 See: PubMed
Camellia oleifera (NCBI:txid385388)	Found in seed (BTO:0001226). Isolated from seed cake. See: PubMed

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

ChEBI Ontology
Outgoing	3,3-dimethyloctane (CHEBI:143850) has role bacterial metabolite (CHEBI:76969) 3,3-dimethyloctane (CHEBI:143850) has role plant metabolite (CHEBI:76924) 3,3-dimethyloctane (CHEBI:143850) is a alkane (CHEBI:18310) 3,3-dimethyloctane (CHEBI:143850) is a volatile organic compound (CHEBI:134179)

IUPAC Name

3,3-dimethyloctane

Synonym	Source
3,3-dimethyl-octane	ChEBI

Last Modified

19 February 2021