CHEBI:131383 - 2,2,4,4,6,8,8-heptamethylnonane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2,4,4,6,8,8-heptamethylnonane
ChEBI ID CHEBI:131383
Definition A branched alkane that is nonane carrying seven methyl substituents at positions 2, 2, 4, 4, 6, 8 and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C16H34
Net Charge 0
Average Mass 226.442
Monoisotopic Mass 226.266
InChI InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
InChIKey VCLJODPNBNEBKW-UHFFFAOYSA-N
SMILES CC(CC(CC(CC(C)(C)C)C)(C)C)(C)C
ChEBI Ontology
Outgoing 2,2,4,4,6,8,8-heptamethylnonane (CHEBI:131383) is a alkane (CHEBI:18310)
IUPAC Name
2,2,4,4,6,8,8-heptamethylnonane
Synonyms Sources
heptamethylnonane ChEBI
isocetane ChEBI
Manual Xref Database
Isocetane Wikipedia
View more database links
Registry Numbers Types Sources
1840009 Reaxys Registry Number Reaxys
4390-04-9 CAS Registry Number ChemIDplus
4390-04-9 CAS Registry Number NIST Chemistry WebBook
Last Modified
01 March 2016