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CHEBI:77509 - 2,2,4,6,6-pentamethylheptane

ChEBI IDCHEBI:77509
ChEBI Name2,2,4,6,6-pentamethylheptane
Stars
DefinitionA branched alkane that is heptane carrying two methyl groups each at positions 2 and 6, and one methyl group at position 4.
Last Modified11 March 2014
Submitterjhammock
DownloadsMolfile
FormulaC12H26
Net Charge0
Average Mass170.340
Monoisotopic Mass170.20345
SMILESCC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
InChIKeyVKPSKYDESGTTFR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2,4,6,6-pentamethylheptane (CHEBI:77509) is a alkane (CHEBI:18310)
IUPAC Name 
2,2,4,6,6-pentamethylheptane
Registry NumbersSources
Reaxys:1731750Reaxys
CAS:13475-82-6ChemIDplus
CAS:13475-82-6NIST Chemistry WebBook