dibromo-bis(dimethoxyphosphoryl)methane

C5H12Br2O6P2 — CID 14508674

IUPACdibromo-bis(dimethoxyphosphoryl)methane
SMILESCOP(=O)(OC)C(Br)(Br)P(=O)(OC)OC
InChIInChI=1S/C5H12Br2O6P2/c1-10-14(8,11-2)5(6,7)15(9,12-3)13-4/h1-4H3
InChIKeyZPKDXJDASZIIQY-UHFFFAOYSA-N
MW389.90 g/mol
LogP3.36
Rot. Bonds6

About dibromo-bis(dimethoxyphosphoryl)methane

dibromo-bis(dimethoxyphosphoryl)methane (PubChem CID 14508674) has the molecular formula C5H12Br2O6P2 and a molecular weight of 389.90 g/mol. Its IUPAC name is dibromo-bis(dimethoxyphosphoryl)methane.

Molecular Properties

Compound Namedibromo-bis(dimethoxyphosphoryl)methane
PubChem CID14508674
Molecular FormulaC5H12Br2O6P2
Molecular Weight389.90 g/mol
Exact Mass387.85
IUPAC Namedibromo-bis(dimethoxyphosphoryl)methane
SMILESCOP(=O)(OC)C(Br)(Br)P(=O)(OC)OC
InChIInChI=1S/C5H12Br2O6P2/c1-10-14(8,11-2)5(6,7)15(9,12-3)13-4/h1-4H3
InChIKeyZPKDXJDASZIIQY-UHFFFAOYSA-N
XLogP3.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[dibromo(dimethoxyphosphoryl)methyl]-methoxyphosphinic acid
CID 10438081
2-dimethoxyphosphoryl-2-methoxypropane
CID 15055131
carbanylium;methyl dihydrogen phosphate
CID 165007935
2-dimethoxyphosphoryl-2-methylpropanoic acid
CID 87489507
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
CID 102046247
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
CID 12886121
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane
CID 23268533
N,N-dimethylmethanamine;methyl dihydrogen phosphate
CID 161217786

Frequently Asked Questions

What is the IUPAC name of dibromo-bis(dimethoxyphosphoryl)methane?
The IUPAC name of dibromo-bis(dimethoxyphosphoryl)methane (CID 14508674) is dibromo-bis(dimethoxyphosphoryl)methane.
What is the SMILES notation for dibromo-bis(dimethoxyphosphoryl)methane?
The canonical SMILES for dibromo-bis(dimethoxyphosphoryl)methane is COP(=O)(OC)C(Br)(Br)P(=O)(OC)OC.
What is the InChIKey of dibromo-bis(dimethoxyphosphoryl)methane?
The InChIKey is ZPKDXJDASZIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Br2O6P2/c1-10-14(8,11-2)5(6,7)15(9,12-3)13-4/h1-4H3.
What are the key properties of dibromo-bis(dimethoxyphosphoryl)methane?
dibromo-bis(dimethoxyphosphoryl)methane has a molecular weight of 389.90 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-bis(dimethoxyphosphoryl)methane is sourced from PubChem (CID 14508674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).