trimethoxy(methyl)azanium

C4H12NO3+ — CID 153179344

IUPACtrimethoxy(methyl)azanium
SMILESCO[N+](C)(OC)OC
InChIInChI=1S/C4H12NO3/c1-5(6-2,7-3)8-4/h1-4H3/q+1
InChIKeyQRWAXUFCMIHXFA-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.12
Rot. Bonds3

About trimethoxy(methyl)azanium

trimethoxy(methyl)azanium (PubChem CID 153179344) has the molecular formula C4H12NO3+ and a molecular weight of 122.14 g/mol. Its IUPAC name is trimethoxy(methyl)azanium.

Molecular Properties

Compound Nametrimethoxy(methyl)azanium
PubChem CID153179344
Molecular FormulaC4H12NO3+
Molecular Weight122.14 g/mol
Exact Mass122.08
IUPAC Nametrimethoxy(methyl)azanium
SMILESCO[N+](C)(OC)OC
InChIInChI=1S/C4H12NO3/c1-5(6-2,7-3)8-4/h1-4H3/q+1
InChIKeyQRWAXUFCMIHXFA-UHFFFAOYSA-N
XLogP0.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy(methyl)azanium?
The IUPAC name of trimethoxy(methyl)azanium (CID 153179344) is trimethoxy(methyl)azanium.
What is the SMILES notation for trimethoxy(methyl)azanium?
The canonical SMILES for trimethoxy(methyl)azanium is CO[N+](C)(OC)OC.
What is the InChIKey of trimethoxy(methyl)azanium?
The InChIKey is QRWAXUFCMIHXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3/c1-5(6-2,7-3)8-4/h1-4H3/q+1.
What are the key properties of trimethoxy(methyl)azanium?
trimethoxy(methyl)azanium has a molecular weight of 122.14 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(methyl)azanium is sourced from PubChem (CID 153179344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).