1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol

C11H26N2O6 — CID 142384045

IUPAC1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
SMILESCC(C)(COCC(O)CON)COCC(O)CON
InChIInChI=1S/C11H26N2O6/c1-11(2,7-16-3-9(14)5-18-12)8-17-4-10(15)6-19-13/h9-10,14-15H,3-8,12-13H2,1-2H3
InChIKeyCLPFSDWCFGLVKV-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.45
Rot. Bonds12

About 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol

1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol (PubChem CID 142384045) has the molecular formula C11H26N2O6 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
PubChem CID142384045
Molecular FormulaC11H26N2O6
Molecular Weight282.34 g/mol
Exact Mass282.18
IUPAC Name1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
SMILESCC(C)(COCC(O)CON)COCC(O)CON
InChIInChI=1S/C11H26N2O6/c1-11(2,7-16-3-9(14)5-18-12)8-17-4-10(15)6-19-13/h9-10,14-15H,3-8,12-13H2,1-2H3
InChIKeyCLPFSDWCFGLVKV-UHFFFAOYSA-N
XLogP-1.45
TPSA129.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol
CID 142384042
1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 169009446
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol
CID 138481907
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
[3-(2,2-dimethylpropoxy)-2-hydroxypropyl] butanoate
CID 118263382
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
The IUPAC name of 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol (CID 142384045) is 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol.
What is the SMILES notation for 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
The canonical SMILES for 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol is CC(C)(COCC(O)CON)COCC(O)CON.
What is the InChIKey of 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
The InChIKey is CLPFSDWCFGLVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O6/c1-11(2,7-16-3-9(14)5-18-12)8-17-4-10(15)6-19-13/h9-10,14-15H,3-8,12-13H2,1-2H3.
What are the key properties of 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol?
1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol has a molecular weight of 282.34 g/mol, XLogP of -1.45, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol is sourced from PubChem (CID 142384045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).