1,2,3-tris(dimethylphosphoryloxy)propane

C9H23O6P3 — CID 23081815

IUPAC1,2,3-tris(dimethylphosphoryloxy)propane
SMILESCP(C)(=O)OCC(COP(C)(C)=O)OP(C)(C)=O
InChIInChI=1S/C9H23O6P3/c1-16(2,10)13-7-9(15-18(5,6)12)8-14-17(3,4)11/h9H,7-8H2,1-6H3
InChIKeyOIDNABLWRUEWEB-UHFFFAOYSA-N
MW320.20 g/mol
LogP3.02
Rot. Bonds8

About 1,2,3-tris(dimethylphosphoryloxy)propane

1,2,3-tris(dimethylphosphoryloxy)propane (PubChem CID 23081815) has the molecular formula C9H23O6P3 and a molecular weight of 320.20 g/mol. Its IUPAC name is 1,2,3-tris(dimethylphosphoryloxy)propane.

Molecular Properties

Compound Name1,2,3-tris(dimethylphosphoryloxy)propane
PubChem CID23081815
Molecular FormulaC9H23O6P3
Molecular Weight320.20 g/mol
Exact Mass320.07
IUPAC Name1,2,3-tris(dimethylphosphoryloxy)propane
SMILESCP(C)(=O)OCC(COP(C)(C)=O)OP(C)(C)=O
InChIInChI=1S/C9H23O6P3/c1-16(2,10)13-7-9(15-18(5,6)12)8-14-17(3,4)11/h9H,7-8H2,1-6H3
InChIKeyOIDNABLWRUEWEB-UHFFFAOYSA-N
XLogP3.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-tris(dimethylphosphoryloxy)butane
CID 23081832
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
1,2,3-tris[di(propan-2-yl)phosphoryloxy]propane
CID 23081759
2-dimethylphosphoryloxypropane
CID 12572720
ethyl 3-dimethylphosphoryloxy-2-methylpropanoate
CID 89491834
2,3-bis[[hydroxy(methyl)phosphoryl]oxy]propyl-trimethylazanium
CID 59991769
1-dimethylphosphoryloxyethanol
CID 90318044
1,2-bis[di(propan-2-yl)phosphoryloxy]butane
CID 23081866
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005
2-dimethylphosphoryloxyethyl hydrogen sulfate
CID 23594631
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(dimethylphosphoryloxy)propane?
The IUPAC name of 1,2,3-tris(dimethylphosphoryloxy)propane (CID 23081815) is 1,2,3-tris(dimethylphosphoryloxy)propane.
What is the SMILES notation for 1,2,3-tris(dimethylphosphoryloxy)propane?
The canonical SMILES for 1,2,3-tris(dimethylphosphoryloxy)propane is CP(C)(=O)OCC(COP(C)(C)=O)OP(C)(C)=O.
What is the InChIKey of 1,2,3-tris(dimethylphosphoryloxy)propane?
The InChIKey is OIDNABLWRUEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23O6P3/c1-16(2,10)13-7-9(15-18(5,6)12)8-14-17(3,4)11/h9H,7-8H2,1-6H3.
What are the key properties of 1,2,3-tris(dimethylphosphoryloxy)propane?
1,2,3-tris(dimethylphosphoryloxy)propane has a molecular weight of 320.20 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(dimethylphosphoryloxy)propane is sourced from PubChem (CID 23081815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).