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

C12H34N2O2 — CID 170782885

IUPAC2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
SMILESCC(C)C[O-].C[N+](C)(C)C.C[N+](C)(C)C.[OH-]
InChIInChI=1S/2C4H12N.C4H9O.H2O/c2*1-5(2,3)4;1-4(2)3-5;/h2*1-4H3;4H,3H2,1-2H3;1H2/q2*+1;-1;/p-1
InChIKeyIUKFBULTMGIXMF-UHFFFAOYSA-M
MW238.42 g/mol
LogP0.47
Rot. Bonds1

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

2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide (PubChem CID 170782885) has the molecular formula C12H34N2O2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide.

Molecular Properties

Compound Name2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
PubChem CID170782885
Molecular FormulaC12H34N2O2
Molecular Weight238.42 g/mol
Exact Mass238.26
IUPAC Name2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
SMILESCC(C)C[O-].C[N+](C)(C)C.C[N+](C)(C)C.[OH-]
InChIInChI=1S/2C4H12N.C4H9O.H2O/c2*1-5(2,3)4;1-4(2)3-5;/h2*1-4H3;4H,3H2,1-2H3;1H2/q2*+1;-1;/p-1
InChIKeyIUKFBULTMGIXMF-UHFFFAOYSA-M
XLogP0.47
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide?
The IUPAC name of 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide (CID 170782885) is 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide.
What is the SMILES notation for 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide?
The canonical SMILES for 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide is CC(C)C[O-].C[N+](C)(C)C.C[N+](C)(C)C.[OH-].
What is the InChIKey of 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide?
The InChIKey is IUKFBULTMGIXMF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H12N.C4H9O.H2O/c2*1-5(2,3)4;1-4(2)3-5;/h2*1-4H3;4H,3H2,1-2H3;1H2/q2*+1;-1;/p-1.
What are the key properties of 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide?
2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide has a molecular weight of 238.42 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide is sourced from PubChem (CID 170782885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).