methyl carbonate;tetramethylazanium

C6H15NO3 — CID 11804927

IUPACmethyl carbonate;tetramethylazanium
SMILESCOC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C2H4O3/c1-5(2,3)4;1-5-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyYKLKUNBKAPXTEZ-UHFFFAOYSA-M
MW149.19 g/mol
LogP-0.70
Rot. Bonds

About methyl carbonate;tetramethylazanium

methyl carbonate;tetramethylazanium (PubChem CID 11804927) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is methyl carbonate;tetramethylazanium.

Molecular Properties

Compound Namemethyl carbonate;tetramethylazanium
PubChem CID11804927
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Namemethyl carbonate;tetramethylazanium
SMILESCOC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C2H4O3/c1-5(2,3)4;1-5-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyYKLKUNBKAPXTEZ-UHFFFAOYSA-M
XLogP-0.70
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl carbonate;tetramethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl carbonate;tetramethylazanium?
The IUPAC name of methyl carbonate;tetramethylazanium (CID 11804927) is methyl carbonate;tetramethylazanium.
What is the SMILES notation for methyl carbonate;tetramethylazanium?
The canonical SMILES for methyl carbonate;tetramethylazanium is COC(=O)[O-].C[N+](C)(C)C.
What is the InChIKey of methyl carbonate;tetramethylazanium?
The InChIKey is YKLKUNBKAPXTEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.C2H4O3/c1-5(2,3)4;1-5-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of methyl carbonate;tetramethylazanium?
methyl carbonate;tetramethylazanium has a molecular weight of 149.19 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbonate;tetramethylazanium is sourced from PubChem (CID 11804927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).