Summary

IMPPAT Phytochemical identifier: IMPHY016294

Phytochemical name: 2,2,3-Trimethyldecane

Synonymous chemical names:
2,2,3-trimethyl-decane

External chemical identifiers:
CID:112483, SureChEMBL:SCHEMBL6408263

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Chemical structure information

SMILES:
CCCCCCCC(C(C)(C)C)C

InChI:
InChI=1S/C13H28/c1-6-7-8-9-10-11-12(2)13(3,4)5/h12H,6-11H2,1-5H3

InChIKey:
BWEUYKNMLNSHIJ-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: 0.569

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Chemical structure download