Summary

IMPPAT Phytochemical identifier: IMPHY017791

Phytochemical name: 2-Methylheptanal

Synonymous chemical names:
2-methylheptanal

External chemical identifiers:
CID:86044, SureChEMBL:SCHEMBL277790

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Chemical structure information

SMILES:
CCCCCC(C=O)C

InChI:
InChI=1S/C8H16O/c1-3-4-5-6-8(2)7-9/h7-8H,3-6H2,1-2H3

InChIKey:
DHEKCFIOOSCJRW-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=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: 1.974

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Chemical structure download