Summary

IMPPAT Phytochemical identifier: IMPHY016190

Phytochemical name: 1,5-Dimethyl-1,5-cyclooctadiene

Synonymous chemical names:
1,5-cyclooctadiene,1,6-dimethyl-

External chemical identifiers:
CID:5365758, SureChEMBL:SCHEMBL316206

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Chemical structure information

SMILES:
CC1=CCCC(=CCC1)C

InChI:
InChI=1S/C10H16/c1-9-5-3-7-10(2)8-4-6-9/h5,8H,3-4,6-7H2,1-2H3/b9-5-,10-8-

InChIKey:
RYOGZVTWMZNTGL-UDRCNDPASA-N

DeepSMILES:
CC=CCCC=CCC8)))C

Functional groups:
C/C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=CCC1

Scaffold Graph/Node level:
C1CCCCCCC1

Scaffold Graph level:
C1CCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 1.636

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Chemical structure download