1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane

C5H14N2O7 — CID 88855236

IUPAC1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
SMILESCCOCC(CON(O)O)ON(O)O
InChIInChI=1S/C5H14N2O7/c1-2-12-3-5(14-7(10)11)4-13-6(8)9/h5,8-11H,2-4H2,1H3
InChIKeyJFONFILKRKTYCJ-UHFFFAOYSA-N
MW214.17 g/mol
LogP-0.58
Rot. Bonds8

About 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane

1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane (PubChem CID 88855236) has the molecular formula C5H14N2O7 and a molecular weight of 214.17 g/mol. Its IUPAC name is 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane.

Molecular Properties

Compound Name1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
PubChem CID88855236
Molecular FormulaC5H14N2O7
Molecular Weight214.17 g/mol
Exact Mass214.08
IUPAC Name1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
SMILESCCOCC(CON(O)O)ON(O)O
InChIInChI=1S/C5H14N2O7/c1-2-12-3-5(14-7(10)11)4-13-6(8)9/h5,8-11H,2-4H2,1H3
InChIKeyJFONFILKRKTYCJ-UHFFFAOYSA-N
XLogP-0.58
TPSA115.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane
CID 88965568
1-[2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965625
1-[(2S)-2,3-bis[(dihydroxyamino)oxy]propoxy]-3-methylbutane
CID 88965703
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992
[(3S)-3,4-bis[(dihydroxyamino)oxy]butyl] tert-butyl carbonate
CID 88977518
(2R)-2,3-diethoxypropan-1-ol
CID 129362297
(2R)-3-ethoxy-2-methoxy-N,N-dimethylpropan-1-amine
CID 118521701
O-(1-aminooxy-3-ethoxypropan-2-yl)hydroxylamine
CID 87320683
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
benzene;1,2-diethoxybutane
CID 67553171
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
The IUPAC name of 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane (CID 88855236) is 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane.
What is the SMILES notation for 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
The canonical SMILES for 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane is CCOCC(CON(O)O)ON(O)O.
What is the InChIKey of 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
The InChIKey is JFONFILKRKTYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O7/c1-2-12-3-5(14-7(10)11)4-13-6(8)9/h5,8-11H,2-4H2,1H3.
What are the key properties of 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane?
1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane has a molecular weight of 214.17 g/mol, XLogP of -0.58, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(dihydroxyamino)oxy]-3-ethoxypropane is sourced from PubChem (CID 88855236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).