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> Main
CHEBI:143850 - 3,3-dimethyloctane
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ChEBI Ontology
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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An alkane that is octane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.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
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Formula
C10H22
Net Charge
0
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.
View more via ChEBI Ontology
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
Registry Numbers
Types
Sources
4110-44-5
CAS Registry Number
NIST Chemistry WebBook
4110-44-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
25849382
PubMed citation
Europe PMC
29998033
PubMed citation
Europe PMC
31059388
PubMed citation
Europe PMC
Last Modified
19 February 2021