Summary

IMPPAT Phytochemical identifier: IMPHY015286

Phytochemical name: 2-Methylnonanal

Synonymous chemical names:
2-methylnonanal

External chemical identifiers:
CID:4428124, SureChEMBL:SCHEMBL111148

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Chemical structure information

SMILES:
CCCCCCCC(C=O)C

InChI:
InChI=1S/C10H20O/c1-3-4-5-6-7-8-10(2)9-11/h9-10H,3-8H2,1-2H3

InChIKey:
MNXNDLQGVDOJQY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O))C

Functional groups:
CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.712

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Chemical structure download