Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010954

Phytochemical name: 2,3,5-Trimethyldecane

Synonymous chemical names:
2,3,5-trimethyldecane, 2,3,5-Trimethyldecane

External chemical identifiers:
CID:CID_522039, SureChEMBL:SCHEMBL9596177

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Chemical structure information

SMILES:
CCCCCC(CC(C(C)C)C)C

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

InChIKey:
AQDNBRMRIRTYIA-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: 1.189

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Chemical structure download