dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane

C12H36O9P6 — CID 160942040

IUPACdimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane
SMILESCP(C)(=O)OP(C)(=O)OP(C)(C)=O.CP(C)(=O)OP(C)(C)=O.CP(C)(C)=O
InChIInChI=1S/C5H15O5P3.C4H12O3P2.C3H9OP/c1-11(2,6)9-13(5,8)10-12(3,4)7;1-8(2,5)7-9(3,4)6;1-5(2,3)4/h1-5H3;1-4H3;1-3H3
InChIKeySUQAPFDVSXTGDJ-UHFFFAOYSA-N
MW510.26 g/mol
LogP6.24
Rot. Bonds6

About dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane

dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane (PubChem CID 160942040) has the molecular formula C12H36O9P6 and a molecular weight of 510.26 g/mol. Its IUPAC name is dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane.

Molecular Properties

Compound Namedimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane
PubChem CID160942040
Molecular FormulaC12H36O9P6
Molecular Weight510.26 g/mol
Exact Mass510.08
IUPAC Namedimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane
SMILESCP(C)(=O)OP(C)(=O)OP(C)(C)=O.CP(C)(=O)OP(C)(C)=O.CP(C)(C)=O
InChIInChI=1S/C5H15O5P3.C4H12O3P2.C3H9OP/c1-11(2,6)9-13(5,8)10-12(3,4)7;1-8(2,5)7-9(3,4)6;1-5(2,3)4/h1-5H3;1-4H3;1-3H3
InChIKeySUQAPFDVSXTGDJ-UHFFFAOYSA-N
XLogP6.24
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.26
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane
CID 158432359
dimethylphosphorylmethane;hydron
CID 139251377
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
[chloro-[chloro(methyl)phosphoryl]oxyphosphoryl]methane
CID 10987550
CID 57459832
CID 57459832
[chlorooxy(methyl)phosphoryl] hypochlorite
CID 23175688
2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
CID 600299
acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane
CID 158498900
dimethylphosphinic acid;dimethylphosphorylmethane;methane
CID 161015324
methane;[methoxy(methyl)phosphoryl]oxy-trimethylsilane
CID 158342684
[aminooxy(methyl)phosphoryl] dihydrogen phosphate
CID 118566511
2-[[tert-butyl(methyl)phosphoryl]oxy-methylphosphoryl]-2-methylpropane
CID 170389690

Frequently Asked Questions

What is the IUPAC name of dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane?
The IUPAC name of dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane (CID 160942040) is dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane.
What is the SMILES notation for dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane?
The canonical SMILES for dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane is CP(C)(=O)OP(C)(=O)OP(C)(C)=O.CP(C)(=O)OP(C)(C)=O.CP(C)(C)=O.
What is the InChIKey of dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane?
The InChIKey is SUQAPFDVSXTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15O5P3.C4H12O3P2.C3H9OP/c1-11(2,6)9-13(5,8)10-12(3,4)7;1-8(2,5)7-9(3,4)6;1-5(2,3)4/h1-5H3;1-4H3;1-3H3.
What are the key properties of dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane?
dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane has a molecular weight of 510.26 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane is sourced from PubChem (CID 160942040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).