Structural Complex
Chemical ID: QLB
IUPAC Name: 2-[2-(2-octoxyethoxy)ethoxy]ethanol
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C14 H30 O4
Molecular weight: 262.386
Hydrogen Bond Acceptor: 4
Hydrogen Bond Donor: 1
Rotatable Bonds: 17
Heavy Atoms: 18
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 2-[2-(2-octoxyethoxy)ethoxy]ethanol
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3
InChIKey InChI 1.03 XIVLVYLYOMHUGB-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCCCCCCCOCCOCCOCCO
SMILES CACTVS 3.385 CCCCCCCCOCCOCCOCCO
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCCCCCCCOCCOCCOCCO
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCOCCOCCOCCO
Chemical Database Mapping
Database Reference ID
PubChem 2723692
SureChEMBL 60428
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