Summary

IMPPAT Phytochemical identifier: IMPHY014322

Phytochemical name: 2-Methylhentriacontane

Synonymous chemical names:
dimethyltriacontane

External chemical identifiers:
CID:14923238, SureChEMBL:SCHEMBL5297883

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C32H66/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2)3/h32H,4-31H2,1-3H3

InChIKey:
XRBHKBOAKDZICV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.208

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Chemical structure download