methanolate;bis(tetramethylazanium);chloride

C9H27ClN2O — CID 141223239

IUPACmethanolate;bis(tetramethylazanium);chloride
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[O-].[Cl-]
InChIInChI=1S/2C4H12N.CH3O.ClH/c2*1-5(2,3)4;1-2;/h2*1-4H3;1H3;1H/q2*+1;-1;/p-1
InChIKeyNXSQMPYEPYCPQG-UHFFFAOYSA-M
MW214.78 g/mol
LogP-3.37
Rot. Bonds

About methanolate;bis(tetramethylazanium);chloride

methanolate;bis(tetramethylazanium);chloride (PubChem CID 141223239) has the molecular formula C9H27ClN2O and a molecular weight of 214.78 g/mol. Its IUPAC name is methanolate;bis(tetramethylazanium);chloride.

Molecular Properties

Compound Namemethanolate;bis(tetramethylazanium);chloride
PubChem CID141223239
Molecular FormulaC9H27ClN2O
Molecular Weight214.78 g/mol
Exact Mass214.18
IUPAC Namemethanolate;bis(tetramethylazanium);chloride
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[O-].[Cl-]
InChIInChI=1S/2C4H12N.CH3O.ClH/c2*1-5(2,3)4;1-2;/h2*1-4H3;1H3;1H/q2*+1;-1;/p-1
InChIKeyNXSQMPYEPYCPQG-UHFFFAOYSA-M
XLogP-3.37
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 5-3.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanolate;bis(tetramethylazanium);chloride?
The IUPAC name of methanolate;bis(tetramethylazanium);chloride (CID 141223239) is methanolate;bis(tetramethylazanium);chloride.
What is the SMILES notation for methanolate;bis(tetramethylazanium);chloride?
The canonical SMILES for methanolate;bis(tetramethylazanium);chloride is C[N+](C)(C)C.C[N+](C)(C)C.C[O-].[Cl-].
What is the InChIKey of methanolate;bis(tetramethylazanium);chloride?
The InChIKey is NXSQMPYEPYCPQG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H12N.CH3O.ClH/c2*1-5(2,3)4;1-2;/h2*1-4H3;1H3;1H/q2*+1;-1;/p-1.
What are the key properties of methanolate;bis(tetramethylazanium);chloride?
methanolate;bis(tetramethylazanium);chloride has a molecular weight of 214.78 g/mol, XLogP of -3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(tetramethylazanium);chloride is sourced from PubChem (CID 141223239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).