methoxy(trimethyl)azanium chloride

C4H12ClNO — CID 169313122

IUPACmethoxy(trimethyl)azanium chloride
SMILESCO[N+](C)(C)C.[Cl-]
InChIInChI=1S/C4H12NO.ClH/c1-5(2,3)6-4;/h1-4H3;1H/q+1;/p-1
InChIKeyCIARQCWRJDBUCF-UHFFFAOYSA-M
MW125.60 g/mol
LogP-2.74
Rot. Bonds1

About methoxy(trimethyl)azanium chloride

methoxy(trimethyl)azanium chloride (PubChem CID 169313122) has the molecular formula C4H12ClNO and a molecular weight of 125.60 g/mol. Its IUPAC name is methoxy(trimethyl)azanium chloride.

Molecular Properties

Compound Namemethoxy(trimethyl)azanium chloride
PubChem CID169313122
Molecular FormulaC4H12ClNO
Molecular Weight125.60 g/mol
Exact Mass125.06
IUPAC Namemethoxy(trimethyl)azanium chloride
SMILESCO[N+](C)(C)C.[Cl-]
InChIInChI=1S/C4H12NO.ClH/c1-5(2,3)6-4;/h1-4H3;1H/q+1;/p-1
InChIKeyCIARQCWRJDBUCF-UHFFFAOYSA-M
XLogP-2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.60
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 chloride?
The IUPAC name of methoxy(trimethyl)azanium chloride (CID 169313122) is methoxy(trimethyl)azanium chloride.
What is the SMILES notation for methoxy(trimethyl)azanium chloride?
The canonical SMILES for methoxy(trimethyl)azanium chloride is CO[N+](C)(C)C.[Cl-].
What is the InChIKey of methoxy(trimethyl)azanium chloride?
The InChIKey is CIARQCWRJDBUCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO.ClH/c1-5(2,3)6-4;/h1-4H3;1H/q+1;/p-1.
What are the key properties of methoxy(trimethyl)azanium chloride?
methoxy(trimethyl)azanium chloride has a molecular weight of 125.60 g/mol, XLogP of -2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(trimethyl)azanium chloride is sourced from PubChem (CID 169313122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).