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> Main
CHEBI:77509 - 2,2,4,6,6-pentamethylheptane
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ChEBI Ontology
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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
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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