Summary

IMPPAT Phytochemical identifier: IMPHY012823

Phytochemical name: 1,6-Cyclodecadiene

Synonymous chemical names:
1,6-cyclodecadiene

External chemical identifiers:
CID:5365639, SureChEMBL:SCHEMBL1112355

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Chemical structure information

SMILES:
C1C/C=CCCC/C=CC1

InChI:
InChI=1S/C10H16/c1-2-4-6-8-10-9-7-5-3-1/h1-2,9-10H,3-8H2/b2-1-,10-9-

InChIKey:
GWCMUONZBWHLRN-REXUQAFDSA-N

DeepSMILES:
CC/C=CCCC/C=CC%10

Functional groups:
C/C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC=CCCC1

Scaffold Graph/Node level:
C1CCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCC1

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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: 0.403

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Chemical structure download