oxido-oxo-propan-2-yloxyphosphanium

C3H7O3P — CID 6383949

IUPACoxido-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)[O-]
InChIInChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3
InChIKeyXZSFYYSNTQXWBM-UHFFFAOYSA-N
MW122.06 g/mol
LogP0.43
Rot. Bonds2

About oxido-oxo-propan-2-yloxyphosphanium

oxido-oxo-propan-2-yloxyphosphanium (PubChem CID 6383949) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is oxido-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Nameoxido-oxo-propan-2-yloxyphosphanium
PubChem CID6383949
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Nameoxido-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)[O-]
InChIInChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3
InChIKeyXZSFYYSNTQXWBM-UHFFFAOYSA-N
XLogP0.43
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 50.43
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 oxido-oxo-propan-2-yloxyphosphanium?
The IUPAC name of oxido-oxo-propan-2-yloxyphosphanium (CID 6383949) is oxido-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for oxido-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for oxido-oxo-propan-2-yloxyphosphanium is CC(C)O[P+](=O)[O-].
What is the InChIKey of oxido-oxo-propan-2-yloxyphosphanium?
The InChIKey is XZSFYYSNTQXWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3.
What are the key properties of oxido-oxo-propan-2-yloxyphosphanium?
oxido-oxo-propan-2-yloxyphosphanium has a molecular weight of 122.06 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 6383949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).