bis(tetramethylazanium);chlorate;iodate

C8H24ClIN2O6 — CID 22662504

IUPACbis(tetramethylazanium);chlorate;iodate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[O-][Cl+2]([O-])[O-].[O-][I+2]([O-])[O-]
InChIInChI=1S/2C4H12N.ClO3.IO3/c2*1-5(2,3)4;2*2-1(3)4/h2*1-4H3;;/q2*+1;2*-1
InChIKeySRIQPVNVTPVYFT-UHFFFAOYSA-N
MW406.65 g/mol
LogP-9.49
Rot. Bonds

About bis(tetramethylazanium);chlorate;iodate

bis(tetramethylazanium);chlorate;iodate (PubChem CID 22662504) has the molecular formula C8H24ClIN2O6 and a molecular weight of 406.65 g/mol. Its IUPAC name is bis(tetramethylazanium);chlorate;iodate.

Molecular Properties

Compound Namebis(tetramethylazanium);chlorate;iodate
PubChem CID22662504
Molecular FormulaC8H24ClIN2O6
Molecular Weight406.65 g/mol
Exact Mass406.04
IUPAC Namebis(tetramethylazanium);chlorate;iodate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[O-][Cl+2]([O-])[O-].[O-][I+2]([O-])[O-]
InChIInChI=1S/2C4H12N.ClO3.IO3/c2*1-5(2,3)4;2*2-1(3)4/h2*1-4H3;;/q2*+1;2*-1
InChIKeySRIQPVNVTPVYFT-UHFFFAOYSA-N
XLogP-9.49
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 5-9.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tetramethylazanium);chlorate;iodate?
The IUPAC name of bis(tetramethylazanium);chlorate;iodate (CID 22662504) is bis(tetramethylazanium);chlorate;iodate.
What is the SMILES notation for bis(tetramethylazanium);chlorate;iodate?
The canonical SMILES for bis(tetramethylazanium);chlorate;iodate is C[N+](C)(C)C.C[N+](C)(C)C.[O-][Cl+2]([O-])[O-].[O-][I+2]([O-])[O-].
What is the InChIKey of bis(tetramethylazanium);chlorate;iodate?
The InChIKey is SRIQPVNVTPVYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N.ClO3.IO3/c2*1-5(2,3)4;2*2-1(3)4/h2*1-4H3;;/q2*+1;2*-1.
What are the key properties of bis(tetramethylazanium);chlorate;iodate?
bis(tetramethylazanium);chlorate;iodate has a molecular weight of 406.65 g/mol, XLogP of -9.49, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetramethylazanium);chlorate;iodate is sourced from PubChem (CID 22662504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).