Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016311

Phytochemical name: 4-Decyne

Synonymous chemical names:
4-Decyne, 4-decyne

External chemical identifiers:
CID:CID_16944, ZINC:ZINC000002038665, SureChEMBL:SCHEMBL55883

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Chemical structure information

SMILES:
CCCCCC#CCCC

InChI:
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-7,9H2,1-2H3

InChIKey:
KVUNBQMRRNMQIZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC#CCCC

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: 1.096

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Chemical structure download