Summary

IMPPAT Phytochemical identifier: IMPHY017795

Phytochemical name: 1-Ethynylcyclopentanol

Synonymous chemical names:
1-ethynyl-cyclopentanol

External chemical identifiers:
CID:87074, ZINC:ZINC000001075969, SureChEMBL:SCHEMBL26489, MolPort-001-785-300

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Chemical structure information

SMILES:
C#CC1(O)CCCC1

InChI:
InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2

InChIKey:
LQMDOONLLAJAPZ-UHFFFAOYSA-N

DeepSMILES:
C#CCO)CCCC5

Functional groups:
C#CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP-Likeness score: 0.625

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Chemical structure download