2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane

C6H16O4P2 — CID 158432359

IUPAC2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OP(C)(C)=O
InChIInChI=1S/C6H16O4P2/c1-6(2)9-12(5,8)10-11(3,4)7/h6H,1-5H3
InChIKeyXIEDIURJCGTHBZ-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.79
Rot. Bonds4

About 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane

2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane (PubChem CID 158432359) has the molecular formula C6H16O4P2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane
PubChem CID158432359
Molecular FormulaC6H16O4P2
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OP(C)(C)=O
InChIInChI=1S/C6H16O4P2/c1-6(2)9-12(5,8)10-11(3,4)7/h6H,1-5H3
InChIKeyXIEDIURJCGTHBZ-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryloxypropane
CID 12572720
dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane
CID 160942040
2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
CID 600299
2-methyl-2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
CID 171057571
CID 175885039
CID 175885039
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672
copper bis(dipropan-2-yl phosphate)
CID 159825108
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
1,2,3,4,5-pentafluoro-6-[[methyl(propan-2-yloxy)phosphoryl]oxymethyl]benzene
CID 602582
1-dimethylphosphoryloxyethanol
CID 90318044
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane?
The IUPAC name of 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane (CID 158432359) is 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane is CC(C)OP(C)(=O)OP(C)(C)=O.
What is the InChIKey of 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane?
The InChIKey is XIEDIURJCGTHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O4P2/c1-6(2)9-12(5,8)10-11(3,4)7/h6H,1-5H3.
What are the key properties of 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane?
2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane has a molecular weight of 214.14 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 158432359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).