bis(4-hydroxybutoxy)-oxophosphanium

C8H18O5P+ — CID 57020327

IUPACbis(4-hydroxybutoxy)-oxophosphanium
SMILESO=[P+](OCCCCO)OCCCCO
InChIInChI=1S/C8H18O5P/c9-5-1-3-7-12-14(11)13-8-4-2-6-10/h9-10H,1-8H2/q+1
InChIKeyKPSTYGSVEKDIHA-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.22
Rot. Bonds10

About bis(4-hydroxybutoxy)-oxophosphanium

bis(4-hydroxybutoxy)-oxophosphanium (PubChem CID 57020327) has the molecular formula C8H18O5P+ and a molecular weight of 225.20 g/mol. Its IUPAC name is bis(4-hydroxybutoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(4-hydroxybutoxy)-oxophosphanium
PubChem CID57020327
Molecular FormulaC8H18O5P+
Molecular Weight225.20 g/mol
Exact Mass225.09
IUPAC Namebis(4-hydroxybutoxy)-oxophosphanium
SMILESO=[P+](OCCCCO)OCCCCO
InChIInChI=1S/C8H18O5P/c9-5-1-3-7-12-14(11)13-8-4-2-6-10/h9-10H,1-8H2/q+1
InChIKeyKPSTYGSVEKDIHA-UHFFFAOYSA-N
XLogP1.22
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybutoxy)-oxophosphanium?
The IUPAC name of bis(4-hydroxybutoxy)-oxophosphanium (CID 57020327) is bis(4-hydroxybutoxy)-oxophosphanium.
What is the SMILES notation for bis(4-hydroxybutoxy)-oxophosphanium?
The canonical SMILES for bis(4-hydroxybutoxy)-oxophosphanium is O=[P+](OCCCCO)OCCCCO.
What is the InChIKey of bis(4-hydroxybutoxy)-oxophosphanium?
The InChIKey is KPSTYGSVEKDIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5P/c9-5-1-3-7-12-14(11)13-8-4-2-6-10/h9-10H,1-8H2/q+1.
What are the key properties of bis(4-hydroxybutoxy)-oxophosphanium?
bis(4-hydroxybutoxy)-oxophosphanium has a molecular weight of 225.20 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybutoxy)-oxophosphanium is sourced from PubChem (CID 57020327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).