Summary

IMPPAT Phytochemical identifier: IMPHY017321

Phytochemical name: 2,5,9-Trimethyldecane

Synonymous chemical names:
2,5,9-trimethyldecane

External chemical identifiers:
CID:522020, SureChEMBL:SCHEMBL18584315

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Chemical structure information

SMILES:
CC(CCC(C)C)CCCC(C)C

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

InChIKey:
YKAQOUURBLPHIN-UHFFFAOYSA-N

DeepSMILES:
CCCCCC)C))))CCCCC)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: 1.012

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Chemical structure download