bis(methoxycarbonyl(trimethyl)azanium) dichloride

C10H24Cl2N2O4 — CID 173225110

IUPACbis(methoxycarbonyl(trimethyl)azanium) dichloride
SMILESCOC(=O)[N+](C)(C)C.COC(=O)[N+](C)(C)C.[Cl-].[Cl-]
InChIInChI=1S/2C5H12NO2.2ClH/c2*1-6(2,3)5(7)8-4;;/h2*1-4H3;2*1H/q2*+1;;/p-2
InChIKeyJAEMBZVBECIQNL-UHFFFAOYSA-L
MW307.22 g/mol
LogP-5.07
Rot. Bonds

About bis(methoxycarbonyl(trimethyl)azanium) dichloride

bis(methoxycarbonyl(trimethyl)azanium) dichloride (PubChem CID 173225110) has the molecular formula C10H24Cl2N2O4 and a molecular weight of 307.22 g/mol. Its IUPAC name is bis(methoxycarbonyl(trimethyl)azanium) dichloride.

Molecular Properties

Compound Namebis(methoxycarbonyl(trimethyl)azanium) dichloride
PubChem CID173225110
Molecular FormulaC10H24Cl2N2O4
Molecular Weight307.22 g/mol
Exact Mass306.11
IUPAC Namebis(methoxycarbonyl(trimethyl)azanium) dichloride
SMILESCOC(=O)[N+](C)(C)C.COC(=O)[N+](C)(C)C.[Cl-].[Cl-]
InChIInChI=1S/2C5H12NO2.2ClH/c2*1-6(2,3)5(7)8-4;;/h2*1-4H3;2*1H/q2*+1;;/p-2
InChIKeyJAEMBZVBECIQNL-UHFFFAOYSA-L
XLogP-5.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 5-5.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(methoxycarbonyl(trimethyl)azanium) dichloride?
The IUPAC name of bis(methoxycarbonyl(trimethyl)azanium) dichloride (CID 173225110) is bis(methoxycarbonyl(trimethyl)azanium) dichloride.
What is the SMILES notation for bis(methoxycarbonyl(trimethyl)azanium) dichloride?
The canonical SMILES for bis(methoxycarbonyl(trimethyl)azanium) dichloride is COC(=O)[N+](C)(C)C.COC(=O)[N+](C)(C)C.[Cl-].[Cl-].
What is the InChIKey of bis(methoxycarbonyl(trimethyl)azanium) dichloride?
The InChIKey is JAEMBZVBECIQNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H12NO2.2ClH/c2*1-6(2,3)5(7)8-4;;/h2*1-4H3;2*1H/q2*+1;;/p-2.
What are the key properties of bis(methoxycarbonyl(trimethyl)azanium) dichloride?
bis(methoxycarbonyl(trimethyl)azanium) dichloride has a molecular weight of 307.22 g/mol, XLogP of -5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxycarbonyl(trimethyl)azanium) dichloride is sourced from PubChem (CID 173225110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).