Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018070

Phytochemical name: 1,9-Dodecadiene

Synonymous chemical names:
1,9-Dodecadiene

External chemical identifiers:
CID:CID_534557

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Chemical structure information

SMILES:
CCC=CCCCCCCC=C

InChI:
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,6,8H,1,4-5,7,9-12H2,2H3

InChIKey:
NXAAKAVSSNVOKK-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCCCCCC=C

Functional groups:
C=CC, CC=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.63

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Chemical structure download