Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018000

Phytochemical name: 2,3,7-Trimethyloctane

Synonymous chemical names:
2,3,7-Trimethyloctane

External chemical identifiers:
CID:CID_43867

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Chemical structure information

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

InChI:
InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3

InChIKey:
XJKKSYAVEVAGFX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)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: 1.025

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Chemical structure download