Summary

IMPPAT Phytochemical identifier: IMPHY015188

Phytochemical name: 1-Hexadecyne

Synonymous chemical names:
1-hexadecyne

External chemical identifiers:
CID:12396, ZINC:ZINC000002560577, SureChEMBL:SCHEMBL514779, MolPort-003-987-051

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC#C

InChI:
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3

InChIKey:
UCIDYSLOTJMRAM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC#C

Functional groups:
C#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Acetylides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.243

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Chemical structure download