Summary

IMPPAT Phytochemical identifier: IMPHY017796

Phytochemical name: 9-Methyldec-2-enal

Synonymous chemical names:
9-methyl 2-decenal

External chemical identifiers:
CID:87291688, SureChEMBL:SCHEMBL1784109

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Chemical structure information

SMILES:
O=C/C=C/CCCCCC(C)C

InChI:
InChI=1S/C11H20O/c1-11(2)9-7-5-3-4-6-8-10-12/h6,8,10-11H,3-5,7,9H2,1-2H3/b8-6+

InChIKey:
ZMEDUVOXYVEJHF-SOFGYWHQSA-N

DeepSMILES:
O=C/C=C/CCCCCCC)C

Functional groups:
C/C=C/C=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: 2.102

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Chemical structure download