Summary

IMPPAT Phytochemical identifier: IMPHY015212

Phytochemical name: 2,3,3-Trimethyloctane

Synonymous chemical names:
2,3,3-trimethyloctane

External chemical identifiers:
CID:537321, SureChEMBL:SCHEMBL18584349

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Chemical structure information

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

InChI:
InChI=1S/C11H24/c1-6-7-8-9-11(4,5)10(2)3/h10H,6-9H2,1-5H3

InChIKey:
KFYWDCDWVPXXCA-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: 0.978

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Chemical structure download