methoxy(trimethyl)azanium hydroxide

C4H13NO2 — CID 87671568

IUPACmethoxy(trimethyl)azanium hydroxide
SMILESCO[N+](C)(C)C.[OH-]
InChIInChI=1S/C4H12NO.H2O/c1-5(2,3)6-4;/h1-4H3;1H2/q+1;/p-1
InChIKeyJTGRLFWBUCNQIH-UHFFFAOYSA-M
MW107.15 g/mol
LogP0.08
Rot. Bonds1

About methoxy(trimethyl)azanium hydroxide

methoxy(trimethyl)azanium hydroxide (PubChem CID 87671568) has the molecular formula C4H13NO2 and a molecular weight of 107.15 g/mol. Its IUPAC name is methoxy(trimethyl)azanium hydroxide.

Molecular Properties

Compound Namemethoxy(trimethyl)azanium hydroxide
PubChem CID87671568
Molecular FormulaC4H13NO2
Molecular Weight107.15 g/mol
Exact Mass107.09
IUPAC Namemethoxy(trimethyl)azanium hydroxide
SMILESCO[N+](C)(C)C.[OH-]
InChIInChI=1S/C4H12NO.H2O/c1-5(2,3)6-4;/h1-4H3;1H2/q+1;/p-1
InChIKeyJTGRLFWBUCNQIH-UHFFFAOYSA-M
XLogP0.08
TPSA39.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy(trimethyl)azanium hydroxide?
The IUPAC name of methoxy(trimethyl)azanium hydroxide (CID 87671568) is methoxy(trimethyl)azanium hydroxide.
What is the SMILES notation for methoxy(trimethyl)azanium hydroxide?
The canonical SMILES for methoxy(trimethyl)azanium hydroxide is CO[N+](C)(C)C.[OH-].
What is the InChIKey of methoxy(trimethyl)azanium hydroxide?
The InChIKey is JTGRLFWBUCNQIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO.H2O/c1-5(2,3)6-4;/h1-4H3;1H2/q+1;/p-1.
What are the key properties of methoxy(trimethyl)azanium hydroxide?
methoxy(trimethyl)azanium hydroxide has a molecular weight of 107.15 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(trimethyl)azanium hydroxide is sourced from PubChem (CID 87671568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).