Summary

IMPPAT Phytochemical identifier: IMPHY015372

Phytochemical name: 4-Ethyloctane

Synonymous chemical names:
4-ethyloctane

External chemical identifiers:
CID:85925, SureChEMBL:SCHEMBL382576

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Chemical structure information

SMILES:
CCCCC(CCC)CC

InChI:
InChI=1S/C10H22/c1-4-7-9-10(6-3)8-5-2/h10H,4-9H2,1-3H3

InChIKey:
NRJUFUBKIFIKFI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)))CC

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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: 1.009

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Chemical structure download