hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)

C24H60O32P4Re4Th-28 — CID 139152951

IUPAChexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
SMILESCCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].[Re].[Re].[Th+4]
InChIInChI=1S/4C6H15O4P.16O.4Re.Th/c4*1-4-8-11(7,9-5-2)10-6-3;;;;;;;;;;;;;;;;;;;;;/h4*4-6H2,1-3H3;;;;;;;;;;;;;;;;;;;;;/q;;;;16*-2;;;;;+4
InChIKeyFPEPWZNXWLQQEJ-UHFFFAOYSA-N
MW1961.47 g/mol
LogP6.91
Rot. Bonds24

About hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)

hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate) (PubChem CID 139152951) has the molecular formula C24H60O32P4Re4Th-28 and a molecular weight of 1961.47 g/mol. Its IUPAC name is hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate).

Molecular Properties

Compound Namehexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
PubChem CID139152951
Molecular FormulaC24H60O32P4Re4Th-28
Molecular Weight1961.47 g/mol
Exact Mass1964.08
IUPAC Namehexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
SMILESCCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].[Re].[Re].[Th+4]
InChIInChI=1S/4C6H15O4P.16O.4Re.Th/c4*1-4-8-11(7,9-5-2)10-6-3;;;;;;;;;;;;;;;;;;;;;/h4*4-6H2,1-3H3;;;;;;;;;;;;;;;;;;;;;/q;;;;16*-2;;;;;+4
InChIKeyFPEPWZNXWLQQEJ-UHFFFAOYSA-N
XLogP6.91
TPSA635.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001961.47
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

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CID 175760856
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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
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Frequently Asked Questions

What is the IUPAC name of hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)?
The IUPAC name of hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate) (CID 139152951) is hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate).
What is the SMILES notation for hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)?
The canonical SMILES for hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate) is CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.CCOP(=O)(OCC)OCC.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re].[Re].[Re].[Th+4].
What is the InChIKey of hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)?
The InChIKey is FPEPWZNXWLQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H15O4P.16O.4Re.Th/c4*1-4-8-11(7,9-5-2)10-6-3;;;;;;;;;;;;;;;;;;;;;/h4*4-6H2,1-3H3;;;;;;;;;;;;;;;;;;;;;/q;;;;16*-2;;;;;+4.
What are the key properties of hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)?
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate) has a molecular weight of 1961.47 g/mol, XLogP of 6.91, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate) is sourced from PubChem (CID 139152951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).