Summary

IMPPAT Phytochemical identifier: IMPHY015210

Phytochemical name: 2,2-Dimethyl-3,4-octadienal

Synonymous chemical names:
2,2-dimethyl-3,4-octadienal, 2,2-dimethyl-3,4-octadienal+, 2,2-dimetil-3,4-octadienal

External chemical identifiers:
CID:253228, ZINC:ZINC000001701847

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-4-5-6-7-8-10(2,3)9-11/h6,8-9H,4-5H2,1-3H3

InChIKey:
VSFHYKIILWBKOH-UHFFFAOYSA-N

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

Functional groups:
CC=C=CC, 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: 1.304

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Chemical structure download