tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane

C21H48AlO6P3 — CID 141377493

IUPACtris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane
SMILESCC(C)P(=O)(O[Al](OP(=O)(C(C)C)C(C)(C)C)OP(=O)(C(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/3C7H17O2P.Al/c3*1-6(2)10(8,9)7(3,4)5;/h3*6H,1-5H3,(H,8,9);/q;;;+3/p-3
InChIKeyWGIBOCXMYVSZEC-UHFFFAOYSA-K
MW516.51 g/mol
LogP8.48
Rot. Bonds9

About tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane

tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane (PubChem CID 141377493) has the molecular formula C21H48AlO6P3 and a molecular weight of 516.51 g/mol. Its IUPAC name is tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane.

Molecular Properties

Compound Nametris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane
PubChem CID141377493
Molecular FormulaC21H48AlO6P3
Molecular Weight516.51 g/mol
Exact Mass516.25
IUPAC Nametris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane
SMILESCC(C)P(=O)(O[Al](OP(=O)(C(C)C)C(C)(C)C)OP(=O)(C(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/3C7H17O2P.Al/c3*1-6(2)10(8,9)7(3,4)5;/h3*6H,1-5H3,(H,8,9);/q;;;+3/p-3
InChIKeyWGIBOCXMYVSZEC-UHFFFAOYSA-K
XLogP8.48
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.51
LogP ≤ 58.48
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

tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
CID 176884398
tert-butyl-[(2-methylpropan-2-yl)oxy]phosphinic acid;tert-butyl(propan-2-yl)phosphinic acid
CID 161196788
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane
CID 58320049
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
2-[[tert-butyl(methyl)phosphoryl]oxy-methylphosphoryl]-2-methylpropane
CID 170389690
2-[methoxy(propan-2-yl)phosphoryl]propane
CID 15162241
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
2-diaminophosphoryloxy-2,3-dimethylbutane
CID 88798989
tris[[methyl-(4-propan-2-ylphenoxy)phosphoryl]oxy]alumane
CID 141386730
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
CID 19814535

Frequently Asked Questions

What is the IUPAC name of tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane?
The IUPAC name of tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane (CID 141377493) is tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane.
What is the SMILES notation for tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane?
The canonical SMILES for tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane is CC(C)P(=O)(O[Al](OP(=O)(C(C)C)C(C)(C)C)OP(=O)(C(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane?
The InChIKey is WGIBOCXMYVSZEC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H17O2P.Al/c3*1-6(2)10(8,9)7(3,4)5;/h3*6H,1-5H3,(H,8,9);/q;;;+3/p-3.
What are the key properties of tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane?
tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane has a molecular weight of 516.51 g/mol, XLogP of 8.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane is sourced from PubChem (CID 141377493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).