aluminum;triethyl phosphate;phosphate

C6H15AlO8P2 — CID 174993171

IUPACaluminum;triethyl phosphate;phosphate
SMILESCCOP(=O)(OCC)OCC.O=P([O-])([O-])[O-].[Al+3]
InChIInChI=1S/C6H15O4P.Al.H3O4P/c1-4-8-11(7,9-5-2)10-6-3;;1-5(2,3)4/h4-6H2,1-3H3;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyZRXCDIJCGBITSV-UHFFFAOYSA-K
MW304.11 g/mol
LogP-1.00
Rot. Bonds6

About aluminum;triethyl phosphate;phosphate

aluminum;triethyl phosphate;phosphate (PubChem CID 174993171) has the molecular formula C6H15AlO8P2 and a molecular weight of 304.11 g/mol. Its IUPAC name is aluminum;triethyl phosphate;phosphate.

Molecular Properties

Compound Namealuminum;triethyl phosphate;phosphate
PubChem CID174993171
Molecular FormulaC6H15AlO8P2
Molecular Weight304.11 g/mol
Exact Mass304.01
IUPAC Namealuminum;triethyl phosphate;phosphate
SMILESCCOP(=O)(OCC)OCC.O=P([O-])([O-])[O-].[Al+3]
InChIInChI=1S/C6H15O4P.Al.H3O4P/c1-4-8-11(7,9-5-2)10-6-3;;1-5(2,3)4/h4-6H2,1-3H3;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyZRXCDIJCGBITSV-UHFFFAOYSA-K
XLogP-1.00
TPSA131.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
sulfur trioxide;triethyl phosphate
CID 86745268
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
acetic acid;triethyl phosphate
CID 161446956
copper bis(diethyl phosphate)
CID 23448356
disodium bis(diethyl phosphate)
CID 57370561
barium(2+);ethyl phosphate
CID 12691393
CID 177007311
CID 177007311
diethyl 2-methoxyethyl phosphate
CID 547489

Frequently Asked Questions

What is the IUPAC name of aluminum;triethyl phosphate;phosphate?
The IUPAC name of aluminum;triethyl phosphate;phosphate (CID 174993171) is aluminum;triethyl phosphate;phosphate.
What is the SMILES notation for aluminum;triethyl phosphate;phosphate?
The canonical SMILES for aluminum;triethyl phosphate;phosphate is CCOP(=O)(OCC)OCC.O=P([O-])([O-])[O-].[Al+3].
What is the InChIKey of aluminum;triethyl phosphate;phosphate?
The InChIKey is ZRXCDIJCGBITSV-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H15O4P.Al.H3O4P/c1-4-8-11(7,9-5-2)10-6-3;;1-5(2,3)4/h4-6H2,1-3H3;;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of aluminum;triethyl phosphate;phosphate?
aluminum;triethyl phosphate;phosphate has a molecular weight of 304.11 g/mol, XLogP of -1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;triethyl phosphate;phosphate is sourced from PubChem (CID 174993171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).