bis(2-methylpropan-1-olate);bis(tetramethylazanium)

C16H42N2O2 — CID 140615462

IUPACbis(2-methylpropan-1-olate);bis(tetramethylazanium)
SMILESCC(C)C[O-].CC(C)C[O-].C[N+](C)(C)C.C[N+](C)(C)C
InChIInChI=1S/2C4H12N.2C4H9O/c2*1-5(2,3)4;2*1-4(2)3-5/h2*1-4H3;2*4H,3H2,1-2H3/q2*+1;2*-1
InChIKeyDXRASJMJBPBJDD-UHFFFAOYSA-N
MW294.52 g/mol
LogP0.65
Rot. Bonds2

About bis(2-methylpropan-1-olate);bis(tetramethylazanium)

bis(2-methylpropan-1-olate);bis(tetramethylazanium) (PubChem CID 140615462) has the molecular formula C16H42N2O2 and a molecular weight of 294.52 g/mol. Its IUPAC name is bis(2-methylpropan-1-olate);bis(tetramethylazanium).

Molecular Properties

Compound Namebis(2-methylpropan-1-olate);bis(tetramethylazanium)
PubChem CID140615462
Molecular FormulaC16H42N2O2
Molecular Weight294.52 g/mol
Exact Mass294.32
IUPAC Namebis(2-methylpropan-1-olate);bis(tetramethylazanium)
SMILESCC(C)C[O-].CC(C)C[O-].C[N+](C)(C)C.C[N+](C)(C)C
InChIInChI=1S/2C4H12N.2C4H9O/c2*1-5(2,3)4;2*1-4(2)3-5/h2*1-4H3;2*4H,3H2,1-2H3/q2*+1;2*-1
InChIKeyDXRASJMJBPBJDD-UHFFFAOYSA-N
XLogP0.65
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.52
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(2-methylpropan-1-olate);bis(tetramethylazanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
CID 170782885
tris(2-methylpropan-1-olate);zirconium(3+)
CID 175879819
tris(2-methylpropan-1-olate);oxygen(2-);vanadium
CID 22290025
magnesium;2-methylpropan-1-olate;propane
CID 154075044
potassium;2-methylpropan-1-ol;2-methylpropan-1-olate
CID 23676528
diazanium;2-methylpropan-1-olate;nitrate
CID 141168982
benzene;tris(2-methylpropan-1-olate);titanium(4+)
CID 162265312
tetra((113C)methyl)azanium
CID 171381348
propane-1,2-diolate;bis(tetraethylazanium)
CID 165390158
sodium 2-methylbutan-1-olate
CID 23683800
tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropan-1-olate);bis(tetramethylazanium)?
The IUPAC name of bis(2-methylpropan-1-olate);bis(tetramethylazanium) (CID 140615462) is bis(2-methylpropan-1-olate);bis(tetramethylazanium).
What is the SMILES notation for bis(2-methylpropan-1-olate);bis(tetramethylazanium)?
The canonical SMILES for bis(2-methylpropan-1-olate);bis(tetramethylazanium) is CC(C)C[O-].CC(C)C[O-].C[N+](C)(C)C.C[N+](C)(C)C.
What is the InChIKey of bis(2-methylpropan-1-olate);bis(tetramethylazanium)?
The InChIKey is DXRASJMJBPBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N.2C4H9O/c2*1-5(2,3)4;2*1-4(2)3-5/h2*1-4H3;2*4H,3H2,1-2H3/q2*+1;2*-1.
What are the key properties of bis(2-methylpropan-1-olate);bis(tetramethylazanium)?
bis(2-methylpropan-1-olate);bis(tetramethylazanium) has a molecular weight of 294.52 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropan-1-olate);bis(tetramethylazanium) is sourced from PubChem (CID 140615462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).