octakis(trimethylazanium);octachloride

C24H80Cl8N8 — CID 139213235

IUPACoctakis(trimethylazanium);octachloride
SMILESC[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/8C3H9N.8ClH/c8*1-4(2)3;;;;;;;;/h8*1-3H3;8*1H
InChIKeyKFOFTUJZIPLGHF-UHFFFAOYSA-N
MW764.58 g/mol
LogP-33.88
Rot. Bonds

About octakis(trimethylazanium);octachloride

octakis(trimethylazanium);octachloride (PubChem CID 139213235) has the molecular formula C24H80Cl8N8 and a molecular weight of 764.58 g/mol. Its IUPAC name is octakis(trimethylazanium);octachloride.

Molecular Properties

Compound Nameoctakis(trimethylazanium);octachloride
PubChem CID139213235
Molecular FormulaC24H80Cl8N8
Molecular Weight764.58 g/mol
Exact Mass760.40
IUPAC Nameoctakis(trimethylazanium);octachloride
SMILESC[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/8C3H9N.8ClH/c8*1-4(2)3;;;;;;;;/h8*1-3H3;8*1H
InChIKeyKFOFTUJZIPLGHF-UHFFFAOYSA-N
XLogP-33.88
TPSA35.52 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.58
LogP ≤ 5-33.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of octakis(trimethylazanium);octachloride?
The IUPAC name of octakis(trimethylazanium);octachloride (CID 139213235) is octakis(trimethylazanium);octachloride.
What is the SMILES notation for octakis(trimethylazanium);octachloride?
The canonical SMILES for octakis(trimethylazanium);octachloride is C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of octakis(trimethylazanium);octachloride?
The InChIKey is KFOFTUJZIPLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/8C3H9N.8ClH/c8*1-4(2)3;;;;;;;;/h8*1-3H3;8*1H.
What are the key properties of octakis(trimethylazanium);octachloride?
octakis(trimethylazanium);octachloride has a molecular weight of 764.58 g/mol, XLogP of -33.88, 0 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(trimethylazanium);octachloride is sourced from PubChem (CID 139213235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).