Summary

IMPPAT Phytochemical identifier: IMPHY015384

Phytochemical name: 4-Methyldodecane

Synonymous chemical names:
4-methyl-dodecane

External chemical identifiers:
CID:521958, SureChEMBL:SCHEMBL450698

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Chemical structure information

SMILES:
CCCCCCCCC(CCC)C

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

InChIKey:
UZTXSMATBUWDDZ-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: 0.881

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Chemical structure download