tetrakis(2-hydroxyethyl)azanium hydroxide

C8H21NO5 — CID 12430

IUPACtetrakis(2-hydroxyethyl)azanium hydroxide
SMILESOCC[N+](CCO)(CCO)CCO.[OH-]
InChIInChI=1S/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1
InChIKeyVHLDQAOFSQCOFS-UHFFFAOYSA-M
MW211.26 g/mol
LogP-2.40
Rot. Bonds8

About tetrakis(2-hydroxyethyl)azanium hydroxide

tetrakis(2-hydroxyethyl)azanium hydroxide (PubChem CID 12430) has the molecular formula C8H21NO5 and a molecular weight of 211.26 g/mol. Its IUPAC name is tetrakis(2-hydroxyethyl)azanium hydroxide.

Molecular Properties

Compound Nametetrakis(2-hydroxyethyl)azanium hydroxide
PubChem CID12430
Molecular FormulaC8H21NO5
Molecular Weight211.26 g/mol
Exact Mass211.14
IUPAC Nametetrakis(2-hydroxyethyl)azanium hydroxide
SMILESOCC[N+](CCO)(CCO)CCO.[OH-]
InChIInChI=1S/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1
InChIKeyVHLDQAOFSQCOFS-UHFFFAOYSA-M
XLogP-2.40
TPSA110.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-hydroxyethyl)azanium hydroxide?
The IUPAC name of tetrakis(2-hydroxyethyl)azanium hydroxide (CID 12430) is tetrakis(2-hydroxyethyl)azanium hydroxide.
What is the SMILES notation for tetrakis(2-hydroxyethyl)azanium hydroxide?
The canonical SMILES for tetrakis(2-hydroxyethyl)azanium hydroxide is OCC[N+](CCO)(CCO)CCO.[OH-].
What is the InChIKey of tetrakis(2-hydroxyethyl)azanium hydroxide?
The InChIKey is VHLDQAOFSQCOFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1.
What are the key properties of tetrakis(2-hydroxyethyl)azanium hydroxide?
tetrakis(2-hydroxyethyl)azanium hydroxide has a molecular weight of 211.26 g/mol, XLogP of -2.40, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-hydroxyethyl)azanium hydroxide is sourced from PubChem (CID 12430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).