ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol

C11H25NO5 — CID 175390899

IUPACethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCO.CCOOOCC
InChIInChI=1S/C7H15NO2.C4H10O3/c1-2-3-8(4-6-9)5-7-10;1-3-5-7-6-4-2/h2,9-10H,1,3-7H2;3-4H2,1-2H3
InChIKeyXUELGLWNJSMORN-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.37
Rot. Bonds10

About ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol

ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol (PubChem CID 175390899) has the molecular formula C11H25NO5 and a molecular weight of 251.32 g/mol. Its IUPAC name is ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Nameethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
PubChem CID175390899
Molecular FormulaC11H25NO5
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Nameethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCO.CCOOOCC
InChIInChI=1S/C7H15NO2.C4H10O3/c1-2-3-8(4-6-9)5-7-10;1-3-5-7-6-4-2/h2,9-10H,1,3-7H2;3-4H2,1-2H3
InChIKeyXUELGLWNJSMORN-UHFFFAOYSA-N
XLogP0.37
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
CID 114496866
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutanoic acid
CID 88520661
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160

Frequently Asked Questions

What is the IUPAC name of ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol (CID 175390899) is ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CCO.CCOOOCC.
What is the InChIKey of ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
The InChIKey is XUELGLWNJSMORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C4H10O3/c1-2-3-8(4-6-9)5-7-10;1-3-5-7-6-4-2/h2,9-10H,1,3-7H2;3-4H2,1-2H3.
What are the key properties of ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol has a molecular weight of 251.32 g/mol, XLogP of 0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 175390899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).