bis(2-hydroxyethyl(trimethyl)azanium);selenate

C10H28N2O6Se — CID 86566768

IUPACbis(2-hydroxyethyl(trimethyl)azanium);selenate
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.O=[Se](=O)([O-])[O-]
InChIInChI=1S/2C5H14NO.H2O4Se/c2*1-6(2,3)4-5-7;1-5(2,3)4/h2*7H,4-5H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyTXVSIUGTSVIKGB-UHFFFAOYSA-L
MW351.30 g/mol
LogP-3.63
Rot. Bonds4

About bis(2-hydroxyethyl(trimethyl)azanium);selenate

bis(2-hydroxyethyl(trimethyl)azanium);selenate (PubChem CID 86566768) has the molecular formula C10H28N2O6Se and a molecular weight of 351.30 g/mol. Its IUPAC name is bis(2-hydroxyethyl(trimethyl)azanium);selenate.

Molecular Properties

Compound Namebis(2-hydroxyethyl(trimethyl)azanium);selenate
PubChem CID86566768
Molecular FormulaC10H28N2O6Se
Molecular Weight351.30 g/mol
Exact Mass352.11
IUPAC Namebis(2-hydroxyethyl(trimethyl)azanium);selenate
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.O=[Se](=O)([O-])[O-]
InChIInChI=1S/2C5H14NO.H2O4Se/c2*1-6(2,3)4-5-7;1-5(2,3)4/h2*7H,4-5H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyTXVSIUGTSVIKGB-UHFFFAOYSA-L
XLogP-3.63
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 5-3.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
bis(2-hydroxyethyl(trimethyl)azanium);sulfite
CID 87093704
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl(trimethyl)azanium);selenate?
The IUPAC name of bis(2-hydroxyethyl(trimethyl)azanium);selenate (CID 86566768) is bis(2-hydroxyethyl(trimethyl)azanium);selenate.
What is the SMILES notation for bis(2-hydroxyethyl(trimethyl)azanium);selenate?
The canonical SMILES for bis(2-hydroxyethyl(trimethyl)azanium);selenate is C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=[Se](=O)([O-])[O-].
What is the InChIKey of bis(2-hydroxyethyl(trimethyl)azanium);selenate?
The InChIKey is TXVSIUGTSVIKGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H14NO.H2O4Se/c2*1-6(2,3)4-5-7;1-5(2,3)4/h2*7H,4-5H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(2-hydroxyethyl(trimethyl)azanium);selenate?
bis(2-hydroxyethyl(trimethyl)azanium);selenate has a molecular weight of 351.30 g/mol, XLogP of -3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl(trimethyl)azanium);selenate is sourced from PubChem (CID 86566768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).