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Substance
ID:1839972
Structure
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Functional Group
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ID:106227
isooctane
Chemical Entities of Biological Interest
ID: CHEBI:62805
Names and Identifiers
IUPAC name
2,2,4-trimethylpentane
IUPAC Traditional name
isooctane
Synonyms
isooctane
(CH3)2CHCH2C(CH3)3
Isobutyltrimethylmethane
iso-octane
Registration numbers
Beilstein Number
1696876
CAS Number
540-84-1
PubChem CID
10907
PubMed Citation Links
23234386
Reaxys Registry
1696876
ACToR Database
31921-36-5
540-84-1
BKMS React Database
143592
BRENDA Database
2.6.1.B16
1.1.1.1
3.2.1.14
BRENDA Ligand Database
143592
CHEMBL
CHEMBL1797261
CompTox Database
DTXSID7024370
MetaboLights Database
MTBLS319
SureChEMBL Database
SCHEMBL23992
UniProt Database
P33412
Q12385
Wikipedia Title
Isooctane
NMRShiftDB Database
10016368
GeneOntology Database
GO:1902789
GO:1902788
CHEBI ID
CHEBI:62805
PubChem SID
125258740
Properties
No Data Available
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Molecule Details
An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.
Molecular Spectra
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References
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