Summary

IMPPAT Phytochemical identifier: IMPHY012294

Phytochemical name: 2-Hexyl-1-decanol

Synonymous chemical names:
2-hexyl-1-decanol

External chemical identifiers:
CID:95337, ChEMBL:CHEMBL3560208, FDASRS:151Z7P1317, SureChEMBL:SCHEMBL15863, MolPort-001-787-200

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Chemical structure information

SMILES:
CCCCCCCCC(CCCCCC)CO

InChI:
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3

InChIKey:
XULHFMYCBKQGEE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC))))))CO

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

NP-Likeness score: 0.951

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Chemical structure download