oxo-di(propan-2-yloxy)phosphanium

C6H14O3P+ — CID 6327350

IUPACoxo-di(propan-2-yloxy)phosphanium
SMILESCC(C)O[P+](=O)OC(C)C
InChIInChI=1S/C6H14O3P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3/q+1
InChIKeyBJLZAAWLLPMZQR-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.49
Rot. Bonds4

About oxo-di(propan-2-yloxy)phosphanium

oxo-di(propan-2-yloxy)phosphanium (PubChem CID 6327350) has the molecular formula C6H14O3P+ and a molecular weight of 165.15 g/mol. Its IUPAC name is oxo-di(propan-2-yloxy)phosphanium.

Molecular Properties

Compound Nameoxo-di(propan-2-yloxy)phosphanium
PubChem CID6327350
Molecular FormulaC6H14O3P+
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Nameoxo-di(propan-2-yloxy)phosphanium
SMILESCC(C)O[P+](=O)OC(C)C
InChIInChI=1S/C6H14O3P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3/q+1
InChIKeyBJLZAAWLLPMZQR-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.49
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-di(propan-2-yloxy)phosphanium?
The IUPAC name of oxo-di(propan-2-yloxy)phosphanium (CID 6327350) is oxo-di(propan-2-yloxy)phosphanium.
What is the SMILES notation for oxo-di(propan-2-yloxy)phosphanium?
The canonical SMILES for oxo-di(propan-2-yloxy)phosphanium is CC(C)O[P+](=O)OC(C)C.
What is the InChIKey of oxo-di(propan-2-yloxy)phosphanium?
The InChIKey is BJLZAAWLLPMZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3/q+1.
What are the key properties of oxo-di(propan-2-yloxy)phosphanium?
oxo-di(propan-2-yloxy)phosphanium has a molecular weight of 165.15 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-di(propan-2-yloxy)phosphanium is sourced from PubChem (CID 6327350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).