Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018303

Phytochemical name: Cyclododecadiene

Synonymous chemical names:
Cyclododecadiene

External chemical identifiers:
CID:CID_5367370

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Chemical structure information

SMILES:
C1CCCC/C=C/C=C\CCC1

InChI:
InChI=1S/C12H20/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-4H,5-12H2/b3-1-,4-2+

InChIKey:
RZUNIXAGSKNOIB-HSFFGMMNSA-N

DeepSMILES:
CCCCC/C=C/C=C\CCC%12

Functional groups:
C/C=C\C=C\C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCCCCCC=C1

Scaffold Graph/Node level:
C1CCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCC1

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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 esters

NP Classifier Class: Lactones

NP-Likeness score: 0.737

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Chemical structure download