Summary

IMPPAT Phytochemical identifier: IMPHY017301

Phytochemical name: 4-Ethyl-5-methylnonane

Synonymous chemical names:
nonane,4-ethyl-5-methyl-

External chemical identifiers:
CID:519249, SureChEMBL:SCHEMBL2503665

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Chemical structure information

SMILES:
CCCCC(C(CCC)CC)C

InChI:
InChI=1S/C12H26/c1-5-8-10-11(4)12(7-3)9-6-2/h11-12H,5-10H2,1-4H3

InChIKey:
HKUUNAOHRKAJIY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC)))CC)))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: 1.147

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Chemical structure download