Summary

IMPPAT Phytochemical identifier: IMPHY015253

Phytochemical name: Tridecanol, 2-ethyl-2-methyl-

Synonymous chemical names:
2-ethyl-2-methyl tridecanol

External chemical identifiers:
CID:545928

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Chemical structure information

SMILES:
CCCCCCCCCCCC(CO)(CC)C

InChI:
InChI=1S/C16H34O/c1-4-6-7-8-9-10-11-12-13-14-16(3,5-2)15-17/h17H,4-15H2,1-3H3

InChIKey:
RHGHBLSDPQFOTE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCO))CC))C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Hydrocarbons

NP-Likeness score: 0.656

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Chemical structure download