Summary

IMPPAT Phytochemical identifier: IMPHY016392

Phytochemical name: 3-Octen-5-yne, 2,7-dimethyl-, (E)-

Synonymous chemical names:
3-octen-5-yne,2,7-dimethyl-,(e)-

External chemical identifiers:
CID:5358333, ZINC:ZINC000001765442

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Chemical structure information

SMILES:
CC(/C=C/C#CC(C)C)C

InChI:
InChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5,7,9-10H,1-4H3/b7-5+

InChIKey:
FGLNIYXXYPEICN-FNORWQNLSA-N

DeepSMILES:
CC/C=C/C#CCC)C))))))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Enynes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.929

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Chemical structure download