[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid

C4H10Br2O6P2 — CID 10438081

IUPAC[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)C(Br)(Br)P(=O)(OC)OC
InChIInChI=1S/C4H10Br2O6P2/c1-10-13(7,8)4(5,6)14(9,11-2)12-3/h1-3H3,(H,7,8)
InChIKeyPCHIBPMYSADFLR-UHFFFAOYSA-N
MW375.87 g/mol
LogP2.71
Rot. Bonds5

About [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid

[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid (PubChem CID 10438081) has the molecular formula C4H10Br2O6P2 and a molecular weight of 375.87 g/mol. Its IUPAC name is [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
PubChem CID10438081
Molecular FormulaC4H10Br2O6P2
Molecular Weight375.87 g/mol
Exact Mass373.83
IUPAC Name[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)C(Br)(Br)P(=O)(OC)OC
InChIInChI=1S/C4H10Br2O6P2/c1-10-13(7,8)4(5,6)14(9,11-2)12-3/h1-3H3,(H,7,8)
InChIKeyPCHIBPMYSADFLR-UHFFFAOYSA-N
XLogP2.71
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
The IUPAC name of [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid (CID 10438081) is [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid.
What is the SMILES notation for [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
The canonical SMILES for [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid is COP(=O)(O)C(Br)(Br)P(=O)(OC)OC.
What is the InChIKey of [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
The InChIKey is PCHIBPMYSADFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Br2O6P2/c1-10-13(7,8)4(5,6)14(9,11-2)12-3/h1-3H3,(H,7,8).
What are the key properties of [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid?
[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid has a molecular weight of 375.87 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid is sourced from PubChem (CID 10438081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).