hydroxy-oxo-propan-2-yloxyphosphanium

C3H8O3P+ — CID 6383950

IUPAChydroxy-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)O
InChIInChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3/p+1
InChIKeyXZSFYYSNTQXWBM-UHFFFAOYSA-O
MW123.07 g/mol
LogP1.06
Rot. Bonds2

About hydroxy-oxo-propan-2-yloxyphosphanium

hydroxy-oxo-propan-2-yloxyphosphanium (PubChem CID 6383950) has the molecular formula C3H8O3P+ and a molecular weight of 123.07 g/mol. Its IUPAC name is hydroxy-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-propan-2-yloxyphosphanium
PubChem CID6383950
Molecular FormulaC3H8O3P+
Molecular Weight123.07 g/mol
Exact Mass123.02
IUPAC Namehydroxy-oxo-propan-2-yloxyphosphanium
SMILESCC(C)O[P+](=O)O
InChIInChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3/p+1
InChIKeyXZSFYYSNTQXWBM-UHFFFAOYSA-O
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.07
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-propan-2-yloxyphosphanium?
The IUPAC name of hydroxy-oxo-propan-2-yloxyphosphanium (CID 6383950) is hydroxy-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for hydroxy-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for hydroxy-oxo-propan-2-yloxyphosphanium is CC(C)O[P+](=O)O.
What is the InChIKey of hydroxy-oxo-propan-2-yloxyphosphanium?
The InChIKey is XZSFYYSNTQXWBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O3P/c1-3(2)6-7(4)5/h3H,1-2H3/p+1.
What are the key properties of hydroxy-oxo-propan-2-yloxyphosphanium?
hydroxy-oxo-propan-2-yloxyphosphanium has a molecular weight of 123.07 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 6383950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).