ethanolate;tetramethylazanium

C6H17NO — CID 11788292

IUPACethanolate;tetramethylazanium
SMILESCC[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C2H5O/c1-5(2,3)4;1-2-3/h1-4H3;2H2,1H3/q+1;-1
InChIKeyCROBQKLTYCHYOP-UHFFFAOYSA-N
MW119.21 g/mol
LogP-0.31
Rot. Bonds

About ethanolate;tetramethylazanium

ethanolate;tetramethylazanium (PubChem CID 11788292) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is ethanolate;tetramethylazanium.

Molecular Properties

Compound Nameethanolate;tetramethylazanium
PubChem CID11788292
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Nameethanolate;tetramethylazanium
SMILESCC[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C2H5O/c1-5(2,3)4;1-2-3/h1-4H3;2H2,1H3/q+1;-1
InChIKeyCROBQKLTYCHYOP-UHFFFAOYSA-N
XLogP-0.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 5-0.31
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 ethanolate;tetramethylazanium?
The IUPAC name of ethanolate;tetramethylazanium (CID 11788292) is ethanolate;tetramethylazanium.
What is the SMILES notation for ethanolate;tetramethylazanium?
The canonical SMILES for ethanolate;tetramethylazanium is CC[O-].C[N+](C)(C)C.
What is the InChIKey of ethanolate;tetramethylazanium?
The InChIKey is CROBQKLTYCHYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C2H5O/c1-5(2,3)4;1-2-3/h1-4H3;2H2,1H3/q+1;-1.
What are the key properties of ethanolate;tetramethylazanium?
ethanolate;tetramethylazanium has a molecular weight of 119.21 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;tetramethylazanium is sourced from PubChem (CID 11788292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).