Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018005

Phytochemical name: 2-Ethyl-1-dodecanol

Synonymous chemical names:
2-Ethyl-1-dodecanol

External chemical identifiers:
CID:CID_545553, FDASRS:9664UN0JVK, SureChEMBL:SCHEMBL812360, Molport-027-352-015

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Chemical structure information

SMILES:
CCCCCCCCCCC(CO)CC

InChI:
InChI=1S/C14H30O/c1-3-5-6-7-8-9-10-11-12-14(4-2)13-15/h14-15H,3-13H2,1-2H3

InChIKey:
SBAZXXVUILTVKK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCO))CC

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: 1.099

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Chemical structure download