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

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ChEBI Name 2,2,4,6,6-pentamethylheptane
ChEBI ID CHEBI:77509
Definition A branched alkane that is heptane carrying two methyl groups each at positions 2 and 6, and one methyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jen Hammock
Supplier Information
Download Molfile XML SDF
Formula C12H26
Net Charge 0
Average Mass 170.33480
Monoisotopic Mass 170.20345
InChI InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
InChIKey VKPSKYDESGTTFR-UHFFFAOYSA-N
SMILES CC(CC(C)(C)C)CC(C)(C)C
ChEBI Ontology
Outgoing 2,2,4,6,6-pentamethylheptane (CHEBI:77509) is a alkane (CHEBI:18310)
IUPAC Name
2,2,4,6,6-pentamethylheptane
Registry Numbers Types Sources
13475-82-6 CAS Registry Number NIST Chemistry WebBook
13475-82-6 CAS Registry Number ChemIDplus
1731750 Reaxys Registry Number Reaxys
Last Modified
11 March 2014