tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane

C15H36AlO6P3 — CID 176884398

IUPACtris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
SMILESCC(C)CP(C)(=O)O[Al](OP(C)(=O)CC(C)C)OP(C)(=O)CC(C)C
InChIInChI=1S/3C5H13O2P.Al/c3*1-5(2)4-8(3,6)7;/h3*5H,4H2,1-3H3,(H,6,7);/q;;;+3/p-3
InChIKeyDOPSDWVTELPYGS-UHFFFAOYSA-K
MW432.35 g/mol
LogP5.71
Rot. Bonds12

About tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane

tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane (PubChem CID 176884398) has the molecular formula C15H36AlO6P3 and a molecular weight of 432.35 g/mol. Its IUPAC name is tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane.

Molecular Properties

Compound Nametris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
PubChem CID176884398
Molecular FormulaC15H36AlO6P3
Molecular Weight432.35 g/mol
Exact Mass432.15
IUPAC Nametris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
SMILESCC(C)CP(C)(=O)O[Al](OP(C)(=O)CC(C)C)OP(C)(=O)CC(C)C
InChIInChI=1S/3C5H13O2P.Al/c3*1-5(2)4-8(3,6)7;/h3*5H,4H2,1-3H3,(H,6,7);/q;;;+3/p-3
InChIKeyDOPSDWVTELPYGS-UHFFFAOYSA-K
XLogP5.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 55.71
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

sodium methyl(2-methylpropyl)phosphinate
CID 141477458
bis(2-methylpropyl)phosphinic acid
CID 10233207
(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium
CID 123675463
1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
CID 71563447
methoxy(2-methylpropyl)phosphinic acid
CID 54548928
1-dimethylphosphoryl-3-methylbutane
CID 58736798
tris[[tert-butyl(propan-2-yl)phosphoryl]oxy]alumane
CID 141377493
hydroxy-methyl-methylidene-(2-methylpropyl)-λ5-phosphane
CID 58584280
methylidene-(2-methylpropyl)-di(propan-2-yloxy)-λ5-phosphane
CID 167648199
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine
CID 157116436
1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane
CID 14693348
2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
CID 154205626

Frequently Asked Questions

What is the IUPAC name of tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane?
The IUPAC name of tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane (CID 176884398) is tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane.
What is the SMILES notation for tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane?
The canonical SMILES for tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane is CC(C)CP(C)(=O)O[Al](OP(C)(=O)CC(C)C)OP(C)(=O)CC(C)C.
What is the InChIKey of tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane?
The InChIKey is DOPSDWVTELPYGS-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H13O2P.Al/c3*1-5(2)4-8(3,6)7;/h3*5H,4H2,1-3H3,(H,6,7);/q;;;+3/p-3.
What are the key properties of tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane?
tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane has a molecular weight of 432.35 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane is sourced from PubChem (CID 176884398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).