diethyl-bis(2-hydroxyethyl)phosphanium

C8H20O2P+ — CID 20723966

IUPACdiethyl-bis(2-hydroxyethyl)phosphanium
SMILESCC[P+](CC)(CCO)CCO
InChIInChI=1S/C8H20O2P/c1-3-11(4-2,7-5-9)8-6-10/h9-10H,3-8H2,1-2H3/q+1
InChIKeyBWVHVJYZXUSHSI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.03
Rot. Bonds6

About diethyl-bis(2-hydroxyethyl)phosphanium

diethyl-bis(2-hydroxyethyl)phosphanium (PubChem CID 20723966) has the molecular formula C8H20O2P+ and a molecular weight of 179.22 g/mol. Its IUPAC name is diethyl-bis(2-hydroxyethyl)phosphanium.

Molecular Properties

Compound Namediethyl-bis(2-hydroxyethyl)phosphanium
PubChem CID20723966
Molecular FormulaC8H20O2P+
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Namediethyl-bis(2-hydroxyethyl)phosphanium
SMILESCC[P+](CC)(CCO)CCO
InChIInChI=1S/C8H20O2P/c1-3-11(4-2,7-5-9)8-6-10/h9-10H,3-8H2,1-2H3/q+1
InChIKeyBWVHVJYZXUSHSI-UHFFFAOYSA-N
XLogP1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-bis(2-hydroxyethyl)phosphanium?
The IUPAC name of diethyl-bis(2-hydroxyethyl)phosphanium (CID 20723966) is diethyl-bis(2-hydroxyethyl)phosphanium.
What is the SMILES notation for diethyl-bis(2-hydroxyethyl)phosphanium?
The canonical SMILES for diethyl-bis(2-hydroxyethyl)phosphanium is CC[P+](CC)(CCO)CCO.
What is the InChIKey of diethyl-bis(2-hydroxyethyl)phosphanium?
The InChIKey is BWVHVJYZXUSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2P/c1-3-11(4-2,7-5-9)8-6-10/h9-10H,3-8H2,1-2H3/q+1.
What are the key properties of diethyl-bis(2-hydroxyethyl)phosphanium?
diethyl-bis(2-hydroxyethyl)phosphanium has a molecular weight of 179.22 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(2-hydroxyethyl)phosphanium is sourced from PubChem (CID 20723966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).