Summary

IMPPAT Phytochemical identifier: IMPHY015249

Phytochemical name: 2-Dodecanol

Synonymous chemical names:
2-dodecanol, dodecan-2-01, dodecan-2-ol

External chemical identifiers:
CID:25045, ChEMBL:CHEMBL446067, SureChEMBL:SCHEMBL120359, MolPort-003-932-946

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Chemical structure information

SMILES:
CCCCCCCCCCC(O)C

InChI:
InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3

InChIKey:
XSWSEQPWKOWORN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCO)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

NP-Likeness score: 0.98

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Chemical structure download