Summary

IMPPAT Phytochemical identifier: IMPHY017916

Phytochemical name: 4-Heptyn-3-ol

Synonymous chemical names:
4-heptyn-3-ol

Chemical structure information

SMILES:
CCC#CC(CC)O

InChI:
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h7-8H,3-4H2,1-2H3

InChIKey:
FMOKAMXPKGORIR-UHFFFAOYSA-N

DeepSMILES:
CCC#CCCC))O

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: 1.654

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Chemical structure download