Structural Complex
Chemical ID: A1D4L
IUPAC Name: 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C22 H46 O12
Molecular weight: 502.593
Hydrogen Bond Acceptor: 12
Hydrogen Bond Donor: 2
Rotatable Bonds: 33
Heavy Atoms: 34
Systematic name
Program Version Descriptor
ACDLabs 14.52 3,6,9,12,15,18,21,24,27,30-decaoxadotriacontane-1,32-diol
OpenEye OEToolkits 3.1.0.0 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI InChI 1.06 InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2
InChIKey InChI 1.06 PSVXZQVXSXSQRO-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES CACTVS 3.385 OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
SMILES OpenEye OEToolkits 3.1.0.0 C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
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