Summary

IMPPAT Phytochemical identifier: IMPHY000957

Phytochemical name: 1-Tridecene-3,5,7,9,11-pentayne

Synonymous chemical names:
1-tridecen-3,5,7,9,11-pentayne, 1-tridecene-3,5,7,9,11-pentayne, 1-tridencene-3,5,7,9,11-pentayne, pentaynene, tridec-1-ene-3,5,7,9,11-pentayne, tridecapentaynene

External chemical identifiers:
CID:441552, ChEBI:9699, FDASRS:0W1JQG9623, SureChEMBL:SCHEMBL9489550

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Chemical structure information

SMILES:
C=CC#CC#CC#CC#CC#CC

InChI:
InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3

InChIKey:
KKBHBCOJHHCOCL-UHFFFAOYSA-N

DeepSMILES:
C=CC#CC#CC#CC#CC#CC

Functional groups:
C=CC#CC#CC#CC#CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Enynes

NP-Likeness score: 2.028

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Chemical structure download