Summary

IMPPAT Phytochemical identifier: IMPHY015280

Phytochemical name: 2-Methyldodecane

Synonymous chemical names:
2-methyldodecane

External chemical identifiers:
CID:15270, ZINC:ZINC000002528314, FDASRS:A6360WD7Y3, SureChEMBL:SCHEMBL671913

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Chemical structure information

SMILES:
CCCCCCCCCCC(C)C

InChI:
InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3

InChIKey:
HGEMCUOAMCILCP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC)C

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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: 0.512

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Chemical structure download