dimethylphosphorylmethyl-hydroxy-oxophosphanium

C3H9O3P2+ — CID 21393262

IUPACdimethylphosphorylmethyl-hydroxy-oxophosphanium
SMILESCP(C)(=O)C[P+](=O)O
InChIInChI=1S/C3H8O3P2/c1-8(2,6)3-7(4)5/h3H2,1-2H3/p+1
InChIKeySCKGSQHNGYPOSD-UHFFFAOYSA-O
MW155.05 g/mol
LogP1.30
Rot. Bonds2

About dimethylphosphorylmethyl-hydroxy-oxophosphanium

dimethylphosphorylmethyl-hydroxy-oxophosphanium (PubChem CID 21393262) has the molecular formula C3H9O3P2+ and a molecular weight of 155.05 g/mol. Its IUPAC name is dimethylphosphorylmethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Namedimethylphosphorylmethyl-hydroxy-oxophosphanium
PubChem CID21393262
Molecular FormulaC3H9O3P2+
Molecular Weight155.05 g/mol
Exact Mass155.00
IUPAC Namedimethylphosphorylmethyl-hydroxy-oxophosphanium
SMILESCP(C)(=O)C[P+](=O)O
InChIInChI=1S/C3H8O3P2/c1-8(2,6)3-7(4)5/h3H2,1-2H3/p+1
InChIKeySCKGSQHNGYPOSD-UHFFFAOYSA-O
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 51.30
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 dimethylphosphorylmethyl-hydroxy-oxophosphanium?
The IUPAC name of dimethylphosphorylmethyl-hydroxy-oxophosphanium (CID 21393262) is dimethylphosphorylmethyl-hydroxy-oxophosphanium.
What is the SMILES notation for dimethylphosphorylmethyl-hydroxy-oxophosphanium?
The canonical SMILES for dimethylphosphorylmethyl-hydroxy-oxophosphanium is CP(C)(=O)C[P+](=O)O.
What is the InChIKey of dimethylphosphorylmethyl-hydroxy-oxophosphanium?
The InChIKey is SCKGSQHNGYPOSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8O3P2/c1-8(2,6)3-7(4)5/h3H2,1-2H3/p+1.
What are the key properties of dimethylphosphorylmethyl-hydroxy-oxophosphanium?
dimethylphosphorylmethyl-hydroxy-oxophosphanium has a molecular weight of 155.05 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphorylmethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 21393262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).