Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018002

Phytochemical name: 2-Methyl-5-propylnonane

Synonymous chemical names:
2-Methyl-5-propylnonane

External chemical identifiers:
CID:CID_545954

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Chemical structure information

SMILES:
CCCCC(CCC(C)C)CCC

InChI:
InChI=1S/C13H28/c1-5-7-9-13(8-6-2)11-10-12(3)4/h12-13H,5-11H2,1-4H3

InChIKey:
CABCROIGBFQLHZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC)C))))CCC

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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: 1.124

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Chemical structure download