Summary

IMPPAT Phytochemical identifier: IMPHY016265

Phytochemical name: 2-Methyl-2-undecene

Synonymous chemical names:
2-methyl-undec-2-ene

External chemical identifiers:
CID:549973, ZINC:ZINC000100993466, SureChEMBL:SCHEMBL83372

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Chemical structure information

SMILES:
CCCCCCCCC=C(C)C

InChI:
InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h11H,4-10H2,1-3H3

InChIKey:
SMDXUIYTBVHJNX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=CC)C

Functional groups:
CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Hydrocarbons

NP-Likeness score: 1.55

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Chemical structure download