Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016598

Phytochemical name: 2-(2-Butoxyethoxy)ethanol

Synonymous chemical names:
2-(2-butoxyethoxy)-ethanol

External chemical identifiers:
CID:CID_8177, ChEMBL:CHEMBL1904721, ZINC:ZINC000001600070, FDASRS:9TB90IYC0E, SureChEMBL:SCHEMBL15619, MolPort-003-925-285

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Chemical structure information

SMILES:
CCCCOCCOCCO

InChI:
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3

InChIKey:
OAYXUHPQHDHDDZ-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCOCCO

Functional groups:
CO, COC

Link to spectral information:
MSBNK-UFZ-UP000167, MSBNK-UFZ-UP000149, MSBNK-UFZ-UP000146, MSBNK-UFZ-UP000100, MSBNK-UFZ-UP000098, MSBNK-UFZ-UP000169, MSBNK-UFZ-UP000096, MSBNK-UFZ-UP000074, MSBNK-UFZ-UP000047, MSBNK-UFZ-UP000070, MSBNK-UFZ-UP000045, MSBNK-UFZ-UP000043, MSBNK-UFZ-UP000020, MSBNK-UFZ-UP000018, MSBNK-UFZ-UP000016, MSBNK-UFZ-UP000072

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: -0.039

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Chemical structure download