Summary

IMPPAT Phytochemical identifier: IMPHY015227

Phytochemical name: 2,4,6-Trimethyldecane

Synonymous chemical names:
2,4,6-trimethyl- decane, 2,4,6-trimethyldecane

External chemical identifiers:
CID:537327, ChEBI:151078, SureChEMBL:SCHEMBL2852595

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Chemical structure information

SMILES:
CCCCC(CC(CC(C)C)C)C

InChI:
InChI=1S/C13H28/c1-6-7-8-12(4)10-13(5)9-11(2)3/h11-13H,6-10H2,1-5H3

InChIKey:
NPHSALVLRUCAFH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC)C)))C)))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.05

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Chemical structure download