Summary

IMPPAT Phytochemical identifier: IMPHY016465

Phytochemical name: 5-Undecyne

Synonymous chemical names:
5-undecyne

External chemical identifiers:
CID:137530, ZINC:ZINC000002579229, SureChEMBL:SCHEMBL303102

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Chemical structure information

SMILES:
CCCCCC#CCCCC

InChI:
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-9H2,1-2H3

InChIKey:
VRQLDBSWBBKOCR-UHFFFAOYSA-N

DeepSMILES:
CCCCCC#CCCCC

Functional groups:
CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Acetylenes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.753

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Chemical structure download