Summary

IMPPAT Phytochemical identifier: IMPHY012350

Phytochemical name: 2-Octyn-1-ol

Synonymous chemical names:
2-octyn-1-ol

External chemical identifiers:
CID:140750, ZINC:ZINC000001737432, SureChEMBL:SCHEMBL329713, MolPort-001-787-196

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Chemical structure information

SMILES:
CCCCCC#CCO

InChI:
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3

InChIKey:
TTWYFVOMGMBZCF-UHFFFAOYSA-N

DeepSMILES:
CCCCCC#CCO

Functional groups:
CC#CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.322

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Chemical structure download