Summary

IMPPAT Phytochemical identifier: IMPHY017762

Phytochemical name: 2-Pentyn-1-ol

Synonymous chemical names:
2-pentyn-1-ol

External chemical identifiers:
CID:80421, ZINC:ZINC000002168472, SureChEMBL:SCHEMBL27078, MolPort-001-768-979

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Chemical structure information

SMILES:
CCC#CCO

InChI:
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3

InChIKey:
WLPYSOCRPHTIDZ-UHFFFAOYSA-N

DeepSMILES:
CCC#CCO

Functional groups:
CC#CC, CO

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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 Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.08

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Chemical structure download