Summary

IMPPAT Phytochemical identifier: IMPHY015462

Phytochemical name: 9-Octylheptadecane

Synonymous chemical names:
9-octyl-heptadecane, 9-octylheptadecane

External chemical identifiers:
CID:292286, SureChEMBL:SCHEMBL224903

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Chemical structure information

SMILES:
CCCCCCCCC(CCCCCCCC)CCCCCCCC

InChI:
InChI=1S/C25H52/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3

InChIKey:
ZLIOPNROBPMBFI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC))))))))CCCCCCCC

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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: 0.408

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Chemical structure download