Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000134

Phytochemical name: 1-Dodecanol

Synonymous chemical names:
dodecanol, 1-, dodecanol, 1- dodecanol, dodecan-1-ol, dodecanol (lauryl alcohol), Dodecanol, 1-dodecanol, n-Dodecanol

External chemical identifiers:
CID:CID_8193, ChEMBL:CHEMBL24722, ChEBI:CHEBI:28878, ZINC:ZINC000001529403, FDASRS:178A96NLP2, SureChEMBL:SCHEMBL6844, MolPort-001-779-974

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Chemical structure information

SMILES:
CCCCCCCCCCCCO

InChI:
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChIKey:
LQZZUXJYWNFBMV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCO

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: 0.577

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Chemical structure download