methoxymethyl carbonate;tetramethylazanium

C7H17NO4 — CID 139845998

IUPACmethoxymethyl carbonate;tetramethylazanium
SMILESCOCOC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C3H6O4/c1-5(2,3)4;1-6-2-7-3(4)5/h1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyXMLILGCRSRVUCX-UHFFFAOYSA-M
MW179.22 g/mol
LogP-0.73
Rot. Bonds2

About methoxymethyl carbonate;tetramethylazanium

methoxymethyl carbonate;tetramethylazanium (PubChem CID 139845998) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is methoxymethyl carbonate;tetramethylazanium.

Molecular Properties

Compound Namemethoxymethyl carbonate;tetramethylazanium
PubChem CID139845998
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Namemethoxymethyl carbonate;tetramethylazanium
SMILESCOCOC(=O)[O-].C[N+](C)(C)C
InChIInChI=1S/C4H12N.C3H6O4/c1-5(2,3)4;1-6-2-7-3(4)5/h1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyXMLILGCRSRVUCX-UHFFFAOYSA-M
XLogP-0.73
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl carbonate;tetramethylazanium?
The IUPAC name of methoxymethyl carbonate;tetramethylazanium (CID 139845998) is methoxymethyl carbonate;tetramethylazanium.
What is the SMILES notation for methoxymethyl carbonate;tetramethylazanium?
The canonical SMILES for methoxymethyl carbonate;tetramethylazanium is COCOC(=O)[O-].C[N+](C)(C)C.
What is the InChIKey of methoxymethyl carbonate;tetramethylazanium?
The InChIKey is XMLILGCRSRVUCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.C3H6O4/c1-5(2,3)4;1-6-2-7-3(4)5/h1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of methoxymethyl carbonate;tetramethylazanium?
methoxymethyl carbonate;tetramethylazanium has a molecular weight of 179.22 g/mol, XLogP of -0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl carbonate;tetramethylazanium is sourced from PubChem (CID 139845998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).