Summary

IMPPAT Phytochemical identifier: IMPHY017286

Phytochemical name: 1,10-Decanediol

Synonymous chemical names:
1,10-decanediol

External chemical identifiers:
CID:37153, ZINC:ZINC000001758367, FDASRS:5I577UDK52, SureChEMBL:SCHEMBL27054, MolPort-001-779-926

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Chemical structure information

SMILES:
OCCCCCCCCCCO

InChI:
InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

InChIKey:
FOTKYAAJKYLFFN-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCO

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: 0.516

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Chemical structure download