Summary

IMPPAT Phytochemical identifier: IMPHY015279

Phytochemical name: 2-Methyldocosane

Synonymous chemical names:
2-methyldocosane

External chemical identifiers:
CID:519145, ZINC:ZINC000100104883, SureChEMBL:SCHEMBL3469394

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C23H48/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h23H,4-22H2,1-3H3

InChIKey:
AISQJRLSHDWVGU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC)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: 0.29

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Chemical structure download