Summary

IMPPAT Phytochemical identifier: IMPHY015441

Phytochemical name: 7-Hexyldocosane

Synonymous chemical names:
7-hexyl-docosane

External chemical identifiers:
CID:291311

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(CCCCCC)CCCCCC

InChI:
InChI=1S/C28H58/c1-4-7-10-13-14-15-16-17-18-19-20-21-24-27-28(25-22-11-8-5-2)26-23-12-9-6-3/h28H,4-27H2,1-3H3

InChIKey:
SDYSFWMEHHOBQG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC))))))CCCCCC

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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: 0.364

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Chemical structure download