bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate

C15H26N4O3 — CID 157083062

IUPACbis(1,2,3,4-tetramethylimidazol-1-ium);carbonate
SMILESCc1c[n+](C)c(C)n1C.Cc1c[n+](C)c(C)n1C.O=C([O-])[O-]
InChIInChI=1S/2C7H13N2.CH2O3/c2*1-6-5-8(3)7(2)9(6)4;2-1(3)4/h2*5H,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyADTSXZXQQDIVGE-UHFFFAOYSA-L
MW310.40 g/mol
LogP-1.51
Rot. Bonds

About bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate

bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate (PubChem CID 157083062) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate.

Molecular Properties

Compound Namebis(1,2,3,4-tetramethylimidazol-1-ium);carbonate
PubChem CID157083062
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Namebis(1,2,3,4-tetramethylimidazol-1-ium);carbonate
SMILESCc1c[n+](C)c(C)n1C.Cc1c[n+](C)c(C)n1C.O=C([O-])[O-]
InChIInChI=1S/2C7H13N2.CH2O3/c2*1-6-5-8(3)7(2)9(6)4;2-1(3)4/h2*5H,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyADTSXZXQQDIVGE-UHFFFAOYSA-L
XLogP-1.51
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate?
The IUPAC name of bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate (CID 157083062) is bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate.
What is the SMILES notation for bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate?
The canonical SMILES for bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate is Cc1c[n+](C)c(C)n1C.Cc1c[n+](C)c(C)n1C.O=C([O-])[O-].
What is the InChIKey of bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate?
The InChIKey is ADTSXZXQQDIVGE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H13N2.CH2O3/c2*1-6-5-8(3)7(2)9(6)4;2-1(3)4/h2*5H,1-4H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate?
bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate has a molecular weight of 310.40 g/mol, XLogP of -1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4-tetramethylimidazol-1-ium);carbonate is sourced from PubChem (CID 157083062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).