Summary

IMPPAT Phytochemical identifier: IMPHY016462

Phytochemical name: 5-Pentyl-cyclohexa-1,3-diene

Synonymous chemical names:
5-pentyl-1.3-cyclohexadiene

External chemical identifiers:
CID:15607494

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Chemical structure information

SMILES:
CCCCCC1CC=CC=C1

InChI:
InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9,11H,2-3,5,8,10H2,1H3

InChIKey:
PPCHPNONKYLBQT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=CC=C6

Functional groups:
C1=CCCC=C1

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP-Likeness score: 2.4

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Chemical structure download