Summary

IMPPAT Phytochemical identifier: IMPHY016493

Phytochemical name: 9-Methyl-1-undecene

Synonymous chemical names:
9-methylundecene

External chemical identifiers:
CID:522553, SureChEMBL:SCHEMBL1907870

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Chemical structure information

SMILES:
C=CCCCCCCC(CC)C

InChI:
InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h4,12H,1,5-11H2,2-3H3

InChIKey:
RGIPKJYIRPALFQ-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCC))C

Functional groups:
C=CC

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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: 1.452

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Chemical structure download