Summary

IMPPAT Phytochemical identifier: IMPHY016486

Phytochemical name: 8-(1-Methylethylidene)bicyclo[5.1.0]octane

Synonymous chemical names:
8-(1-methylethylidene)bicyclo [5.1.0] octane

External chemical identifiers:
CID:535068

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Chemical structure information

SMILES:
CC(=C1C2C1CCCCC2)C

InChI:
InChI=1S/C11H18/c1-8(2)11-9-6-4-3-5-7-10(9)11/h9-10H,3-7H2,1-2H3

InChIKey:
RAROQJZQARUXBD-UHFFFAOYSA-N

DeepSMILES:
CC=CCC3CCCCC7))))))))C

Functional groups:
CC(C)=C1CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCCCCC12

Scaffold Graph/Node level:
CC1C2CCCCCC12

Scaffold Graph level:
CC1C2CCCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP-Likeness score: 0.513

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Chemical structure download