1-methoxyethenyl(trimethyl)azanium

C6H14NO+ — CID 102445678

IUPAC1-methoxyethenyl(trimethyl)azanium
SMILESC=C(OC)[N+](C)(C)C
InChIInChI=1S/C6H14NO/c1-6(8-5)7(2,3)4/h1H2,2-5H3/q+1
InChIKeyLGKDHCOFTGHCLN-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.81
Rot. Bonds2

About 1-methoxyethenyl(trimethyl)azanium

1-methoxyethenyl(trimethyl)azanium (PubChem CID 102445678) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is 1-methoxyethenyl(trimethyl)azanium.

Molecular Properties

Compound Name1-methoxyethenyl(trimethyl)azanium
PubChem CID102445678
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name1-methoxyethenyl(trimethyl)azanium
SMILESC=C(OC)[N+](C)(C)C
InChIInChI=1S/C6H14NO/c1-6(8-5)7(2,3)4/h1H2,2-5H3/q+1
InChIKeyLGKDHCOFTGHCLN-UHFFFAOYSA-N
XLogP0.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethenyl(trimethyl)azanium?
The IUPAC name of 1-methoxyethenyl(trimethyl)azanium (CID 102445678) is 1-methoxyethenyl(trimethyl)azanium.
What is the SMILES notation for 1-methoxyethenyl(trimethyl)azanium?
The canonical SMILES for 1-methoxyethenyl(trimethyl)azanium is C=C(OC)[N+](C)(C)C.
What is the InChIKey of 1-methoxyethenyl(trimethyl)azanium?
The InChIKey is LGKDHCOFTGHCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-6(8-5)7(2,3)4/h1H2,2-5H3/q+1.
What are the key properties of 1-methoxyethenyl(trimethyl)azanium?
1-methoxyethenyl(trimethyl)azanium has a molecular weight of 116.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethenyl(trimethyl)azanium is sourced from PubChem (CID 102445678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).