Summary

IMPPAT Phytochemical identifier: IMPHY016074

Phytochemical name: (E)-2-Octadecene

Synonymous chemical names:
(e)-2-octadecene

External chemical identifiers:
CID:5352248, ZINC:ZINC000064624867, FDASRS:KG8J99D61T, SureChEMBL:SCHEMBL386974

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC/C=C/C

InChI:
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3,5H,4,6-18H2,1-2H3/b5-3+

InChIKey:
KUQIWULJSBTNPX-HWKANZROSA-N

DeepSMILES:
CCCCCCCCCCCCCCC/C=C/C

Functional groups:
C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.892

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Chemical structure download