Summary

IMPPAT Phytochemical identifier: IMPHY017082

Phytochemical name: 1(7)-Bicyclo(5.3.0)decane

Synonymous chemical names:
1,2,3,4,5,6,7,8-octahydroazulene

External chemical identifiers:
CID:138933, ZINC:ZINC000111348711

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Chemical structure information

SMILES:
C1CCC2=C(CC1)CCC2

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

InChIKey:
ZQLAQUUTBNRDBN-UHFFFAOYSA-N

DeepSMILES:
CCCC=CCC7))CCC5

Functional groups:
CC(C)=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2=C(CC1)CCC2

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP-Likeness score: 0.068

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Chemical structure download