tris(2-hydroxyethyl)-methylphosphanium

C7H18O3P+ — CID 14746820

IUPACtris(2-hydroxyethyl)-methylphosphanium
SMILESC[P+](CCO)(CCO)CCO
InChIInChI=1S/C7H18O3P/c1-11(5-2-8,6-3-9)7-4-10/h8-10H,2-7H2,1H3/q+1
InChIKeyOGPAQHXRCDXXNN-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.39
Rot. Bonds6

About tris(2-hydroxyethyl)-methylphosphanium

tris(2-hydroxyethyl)-methylphosphanium (PubChem CID 14746820) has the molecular formula C7H18O3P+ and a molecular weight of 181.19 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-methylphosphanium.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-methylphosphanium
PubChem CID14746820
Molecular FormulaC7H18O3P+
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Nametris(2-hydroxyethyl)-methylphosphanium
SMILESC[P+](CCO)(CCO)CCO
InChIInChI=1S/C7H18O3P/c1-11(5-2-8,6-3-9)7-4-10/h8-10H,2-7H2,1H3/q+1
InChIKeyOGPAQHXRCDXXNN-UHFFFAOYSA-N
XLogP-0.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-methylphosphanium?
The IUPAC name of tris(2-hydroxyethyl)-methylphosphanium (CID 14746820) is tris(2-hydroxyethyl)-methylphosphanium.
What is the SMILES notation for tris(2-hydroxyethyl)-methylphosphanium?
The canonical SMILES for tris(2-hydroxyethyl)-methylphosphanium is C[P+](CCO)(CCO)CCO.
What is the InChIKey of tris(2-hydroxyethyl)-methylphosphanium?
The InChIKey is OGPAQHXRCDXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3P/c1-11(5-2-8,6-3-9)7-4-10/h8-10H,2-7H2,1H3/q+1.
What are the key properties of tris(2-hydroxyethyl)-methylphosphanium?
tris(2-hydroxyethyl)-methylphosphanium has a molecular weight of 181.19 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-methylphosphanium is sourced from PubChem (CID 14746820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).