(3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium

C8H18NO2+ — CID 4092

IUPAC(3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium
SMILESCOC(=O)C(C)C[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-7(8(10)11-5)6-9(2,3)4/h7H,6H2,1-5H3/q+1
InChIKeyWZGFELKFLFTBDN-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.50
Rot. Bonds3

About (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium

(3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium (PubChem CID 4092) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium.

Molecular Properties

Compound Name(3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium
PubChem CID4092
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name(3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium
SMILESCOC(=O)C(C)C[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-7(8(10)11-5)6-9(2,3)4/h7H,6H2,1-5H3/q+1
InChIKeyWZGFELKFLFTBDN-UHFFFAOYSA-N
XLogP0.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium?
The IUPAC name of (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium (CID 4092) is (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium.
What is the SMILES notation for (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium?
The canonical SMILES for (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium is COC(=O)C(C)C[N+](C)(C)C.
What is the InChIKey of (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium?
The InChIKey is WZGFELKFLFTBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-7(8(10)11-5)6-9(2,3)4/h7H,6H2,1-5H3/q+1.
What are the key properties of (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium?
(3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium has a molecular weight of 160.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methyl-3-oxopropyl)-trimethylazanium is sourced from PubChem (CID 4092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).