bis(2-hydroxypropoxy)-oxophosphanium

C6H14O5P+ — CID 10535941

IUPACbis(2-hydroxypropoxy)-oxophosphanium
SMILESCC(O)CO[P+](=O)OCC(C)O
InChIInChI=1S/C6H14O5P/c1-5(7)3-10-12(9)11-4-6(2)8/h5-8H,3-4H2,1-2H3/q+1
InChIKeyICDATCRXJGRUTJ-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.44
Rot. Bonds6

About bis(2-hydroxypropoxy)-oxophosphanium

bis(2-hydroxypropoxy)-oxophosphanium (PubChem CID 10535941) has the molecular formula C6H14O5P+ and a molecular weight of 197.15 g/mol. Its IUPAC name is bis(2-hydroxypropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-hydroxypropoxy)-oxophosphanium
PubChem CID10535941
Molecular FormulaC6H14O5P+
Molecular Weight197.15 g/mol
Exact Mass197.06
IUPAC Namebis(2-hydroxypropoxy)-oxophosphanium
SMILESCC(O)CO[P+](=O)OCC(C)O
InChIInChI=1S/C6H14O5P/c1-5(7)3-10-12(9)11-4-6(2)8/h5-8H,3-4H2,1-2H3/q+1
InChIKeyICDATCRXJGRUTJ-UHFFFAOYSA-N
XLogP0.44
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropoxy)-oxophosphanium?
The IUPAC name of bis(2-hydroxypropoxy)-oxophosphanium (CID 10535941) is bis(2-hydroxypropoxy)-oxophosphanium.
What is the SMILES notation for bis(2-hydroxypropoxy)-oxophosphanium?
The canonical SMILES for bis(2-hydroxypropoxy)-oxophosphanium is CC(O)CO[P+](=O)OCC(C)O.
What is the InChIKey of bis(2-hydroxypropoxy)-oxophosphanium?
The InChIKey is ICDATCRXJGRUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5P/c1-5(7)3-10-12(9)11-4-6(2)8/h5-8H,3-4H2,1-2H3/q+1.
What are the key properties of bis(2-hydroxypropoxy)-oxophosphanium?
bis(2-hydroxypropoxy)-oxophosphanium has a molecular weight of 197.15 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropoxy)-oxophosphanium is sourced from PubChem (CID 10535941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).