1,2,4-tris(dimethylphosphoryloxy)butane

C10H25O6P3 — CID 23081832

IUPAC1,2,4-tris(dimethylphosphoryloxy)butane
SMILESCP(C)(=O)OCCC(COP(C)(C)=O)OP(C)(C)=O
InChIInChI=1S/C10H25O6P3/c1-17(2,11)14-8-7-10(16-19(5,6)13)9-15-18(3,4)12/h10H,7-9H2,1-6H3
InChIKeySGUQFIVTYOMIIA-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.41
Rot. Bonds9

About 1,2,4-tris(dimethylphosphoryloxy)butane

1,2,4-tris(dimethylphosphoryloxy)butane (PubChem CID 23081832) has the molecular formula C10H25O6P3 and a molecular weight of 334.23 g/mol. Its IUPAC name is 1,2,4-tris(dimethylphosphoryloxy)butane.

Molecular Properties

Compound Name1,2,4-tris(dimethylphosphoryloxy)butane
PubChem CID23081832
Molecular FormulaC10H25O6P3
Molecular Weight334.23 g/mol
Exact Mass334.09
IUPAC Name1,2,4-tris(dimethylphosphoryloxy)butane
SMILESCP(C)(=O)OCCC(COP(C)(C)=O)OP(C)(C)=O
InChIInChI=1S/C10H25O6P3/c1-17(2,11)14-8-7-10(16-19(5,6)13)9-15-18(3,4)12/h10H,7-9H2,1-6H3
InChIKeySGUQFIVTYOMIIA-UHFFFAOYSA-N
XLogP3.41
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.41
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

1,2,3-tris(dimethylphosphoryloxy)propane
CID 23081815
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
2-dimethylphosphoryloxyethyl hydrogen sulfate
CID 23594631
2-dimethylphosphoryloxypropane
CID 12572720
1,2,3-tris[di(propan-2-yl)phosphoryloxy]propane
CID 23081759
trimethyl-[methyl(3-methylbutoxy)phosphoryl]oxysilane
CID 91752262
ethyl 3-dimethylphosphoryloxy-2-methylpropanoate
CID 89491834
3-dimethylphosphoryloxy-1-ethoxy-1,1-difluoropropane
CID 89445600
1-[2-methoxy-4-[methoxy(methyl)phosphoryl]oxybutoxy]hexadecane
CID 57288612
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
2,3-bis[[hydroxy(methyl)phosphoryl]oxy]propyl-trimethylazanium
CID 59991769

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris(dimethylphosphoryloxy)butane?
The IUPAC name of 1,2,4-tris(dimethylphosphoryloxy)butane (CID 23081832) is 1,2,4-tris(dimethylphosphoryloxy)butane.
What is the SMILES notation for 1,2,4-tris(dimethylphosphoryloxy)butane?
The canonical SMILES for 1,2,4-tris(dimethylphosphoryloxy)butane is CP(C)(=O)OCCC(COP(C)(C)=O)OP(C)(C)=O.
What is the InChIKey of 1,2,4-tris(dimethylphosphoryloxy)butane?
The InChIKey is SGUQFIVTYOMIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25O6P3/c1-17(2,11)14-8-7-10(16-19(5,6)13)9-15-18(3,4)12/h10H,7-9H2,1-6H3.
What are the key properties of 1,2,4-tris(dimethylphosphoryloxy)butane?
1,2,4-tris(dimethylphosphoryloxy)butane has a molecular weight of 334.23 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris(dimethylphosphoryloxy)butane is sourced from PubChem (CID 23081832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).