sulfur trioxide;triethyl phosphate

C6H15O7PS — CID 86745268

IUPACsulfur trioxide;triethyl phosphate
SMILESCCOP(=O)(OCC)OCC.O=S(=O)=O
InChIInChI=1S/C6H15O4P.O3S/c1-4-8-11(7,9-5-2)10-6-3;1-4(2)3/h4-6H2,1-3H3;
InChIKeyUGGJAKASOAGLRU-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.20
Rot. Bonds6

About sulfur trioxide;triethyl phosphate

sulfur trioxide;triethyl phosphate (PubChem CID 86745268) has the molecular formula C6H15O7PS and a molecular weight of 262.22 g/mol. Its IUPAC name is sulfur trioxide;triethyl phosphate.

Molecular Properties

Compound Namesulfur trioxide;triethyl phosphate
PubChem CID86745268
Molecular FormulaC6H15O7PS
Molecular Weight262.22 g/mol
Exact Mass262.03
IUPAC Namesulfur trioxide;triethyl phosphate
SMILESCCOP(=O)(OCC)OCC.O=S(=O)=O
InChIInChI=1S/C6H15O4P.O3S/c1-4-8-11(7,9-5-2)10-6-3;1-4(2)3/h4-6H2,1-3H3;
InChIKeyUGGJAKASOAGLRU-UHFFFAOYSA-N
XLogP1.20
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
aluminum;triethyl phosphate;phosphate
CID 174993171
acetic acid;triethyl phosphate
CID 161446956
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diethyl 2-methoxyethyl phosphate
CID 547489
2-ethoxyethyl diethyl phosphate
CID 3052884
(3-diethoxyphosphoryloxy-2,2-dimethylpropyl) diethyl phosphate
CID 518173
diethoxy ethyl phosphate
CID 22136775
CID 177007311
CID 177007311
2-methylpropanamide;triethyl phosphate
CID 155316510
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075

Frequently Asked Questions

What is the IUPAC name of sulfur trioxide;triethyl phosphate?
The IUPAC name of sulfur trioxide;triethyl phosphate (CID 86745268) is sulfur trioxide;triethyl phosphate.
What is the SMILES notation for sulfur trioxide;triethyl phosphate?
The canonical SMILES for sulfur trioxide;triethyl phosphate is CCOP(=O)(OCC)OCC.O=S(=O)=O.
What is the InChIKey of sulfur trioxide;triethyl phosphate?
The InChIKey is UGGJAKASOAGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P.O3S/c1-4-8-11(7,9-5-2)10-6-3;1-4(2)3/h4-6H2,1-3H3;.
What are the key properties of sulfur trioxide;triethyl phosphate?
sulfur trioxide;triethyl phosphate has a molecular weight of 262.22 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sulfur trioxide;triethyl phosphate is sourced from PubChem (CID 86745268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).