Summary

IMPPAT Phytochemical identifier: IMPHY015455

Phytochemical name: Docosane, 9-butyl-

Synonymous chemical names:
9-butyl-docosane, 9-butyldocosane

External chemical identifiers:
CID:291309, SureChEMBL:SCHEMBL18247303

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(CCCCCCCC)CCCC

InChI:
InChI=1S/C26H54/c1-4-7-10-12-14-15-16-17-18-20-22-25-26(23-9-6-3)24-21-19-13-11-8-5-2/h26H,4-25H2,1-3H3

InChIKey:
OIHDCDZZRDGEIB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC))))))))CCCC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.412

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Chemical structure download