Summary

IMPPAT Phytochemical identifier: IMPHY012195

Phytochemical name: 2,5-Dimethyldodecane

Synonymous chemical names:
2,5-dimethyldodecane

External chemical identifiers:
CID:41837, SureChEMBL:SCHEMBL672920

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Chemical structure information

SMILES:
CCCCCCCC(CCC(C)C)C

InChI:
InChI=1S/C14H30/c1-5-6-7-8-9-10-14(4)12-11-13(2)3/h13-14H,5-12H2,1-4H3

InChIKey:
KDRXSZIYLPVVDY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC)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: 1.026

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Chemical structure download