aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)

C12H27AlO4 — CID 101066233

IUPACaluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
SMILESCC(C)(C)O[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChIInChI=1S/C4H10O2.2C4H9O.Al/c1-4(2,3)6-5;2*1-4(2,3)5;/h5H,1-3H3;2*1-3H3;/q;2*-1;+3/p-1
InChIKeyOZGXZZASWSWYJY-UHFFFAOYSA-M
MW262.33 g/mol
LogP-0.01
Rot. Bonds

About aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)

aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate) (PubChem CID 101066233) has the molecular formula C12H27AlO4 and a molecular weight of 262.33 g/mol. Its IUPAC name is aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate).

Molecular Properties

Compound Namealuminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
PubChem CID101066233
Molecular FormulaC12H27AlO4
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Namealuminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
SMILESCC(C)(C)O[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChIInChI=1S/C4H10O2.2C4H9O.Al/c1-4(2,3)6-5;2*1-4(2,3)5;/h5H,1-3H3;2*1-3H3;/q;2*-1;+3/p-1
InChIKeyOZGXZZASWSWYJY-UHFFFAOYSA-M
XLogP-0.01
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

pentakis(2-methyl-2-oxidooxypropane);vanadium
CID 173092145
triazanium;tris(2-methylpropan-2-olate)
CID 139799993
sodium tert-butanolate
CID 131726539
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
potassium;gold;2-methylpropan-2-olate
CID 174888257
tris(2-methylpropan-2-olate);titanium(4+);hydroxide
CID 101188684
2-methylpropan-2-olate;trimethyl-[(2-methylpropan-2-yl)oxy]azanium
CID 21289029
dialuminum;tris(2-oxidooxy-2-(2-oxidooxybutan-2-ylperoxy)butane)
CID 173456876
sodium;benzene;2-methylpropan-2-olate
CID 174911995
potassium;ethoxyethane;2-methylpropan-2-olate
CID 131710289
ditert-butylalumanylium;2-methylpropan-2-olate
CID 18400427

Frequently Asked Questions

What is the IUPAC name of aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)?
The IUPAC name of aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate) (CID 101066233) is aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate).
What is the SMILES notation for aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)?
The canonical SMILES for aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate) is CC(C)(C)O[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3].
What is the InChIKey of aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)?
The InChIKey is OZGXZZASWSWYJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2.2C4H9O.Al/c1-4(2,3)6-5;2*1-4(2,3)5;/h5H,1-3H3;2*1-3H3;/q;2*-1;+3/p-1.
What are the key properties of aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)?
aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate) has a molecular weight of 262.33 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate) is sourced from PubChem (CID 101066233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).