oxo(dipropoxy)phosphanium

C6H14O3P+ — CID 6327351

IUPACoxo(dipropoxy)phosphanium
SMILESCCCO[P+](=O)OCCC
InChIInChI=1S/C6H14O3P/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3/q+1
InChIKeyCHJUOCDSZWMLRU-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.50
Rot. Bonds6

About oxo(dipropoxy)phosphanium

oxo(dipropoxy)phosphanium (PubChem CID 6327351) has the molecular formula C6H14O3P+ and a molecular weight of 165.15 g/mol. Its IUPAC name is oxo(dipropoxy)phosphanium.

Molecular Properties

Compound Nameoxo(dipropoxy)phosphanium
PubChem CID6327351
Molecular FormulaC6H14O3P+
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Nameoxo(dipropoxy)phosphanium
SMILESCCCO[P+](=O)OCCC
InChIInChI=1S/C6H14O3P/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3/q+1
InChIKeyCHJUOCDSZWMLRU-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
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 oxo(dipropoxy)phosphanium?
The IUPAC name of oxo(dipropoxy)phosphanium (CID 6327351) is oxo(dipropoxy)phosphanium.
What is the SMILES notation for oxo(dipropoxy)phosphanium?
The canonical SMILES for oxo(dipropoxy)phosphanium is CCCO[P+](=O)OCCC.
What is the InChIKey of oxo(dipropoxy)phosphanium?
The InChIKey is CHJUOCDSZWMLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3P/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3/q+1.
What are the key properties of oxo(dipropoxy)phosphanium?
oxo(dipropoxy)phosphanium has a molecular weight of 165.15 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(dipropoxy)phosphanium is sourced from PubChem (CID 6327351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).