Summary

IMPPAT Phytochemical identifier: IMPHY015677

Phytochemical name: 2,5,9-Trimethyl-4,9-decadienal

Synonymous chemical names:
(e)-trimenal, e-trimenal

External chemical identifiers:
CID:6438313, SureChEMBL:SCHEMBL2737163

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Chemical structure information

SMILES:
O=CC(C/C=C(/CCCC(=C)C)C)C

InChI:
InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3/b12-8+

InChIKey:
MINJGYRWHNAENM-XYOKQWHBSA-N

DeepSMILES:
O=CCC/C=C/CCCC=C)C)))))C))))C

Functional groups:
C/C=C(/C)C, C=C(C)C, 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-Likeness score: 2.253

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Chemical structure download