(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium

C28H54N2O4+2 — CID 122204638

IUPAC(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium
SMILESCC(C)CC(=O)CC(C)CC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)CC(C)CC(=O)CC(C)C
InChIInChI=1S/C28H54N2O4/c1-21(2)13-25(31)15-23(5)17-27(33)19-29(7,8)11-12-30(9,10)20-28(34)18-24(6)16-26(32)14-22(3)4/h21-24H,11-20H2,1-10H3/q+2
InChIKeyYTRZCWVSAFNBFG-UHFFFAOYSA-N
MW482.75 g/mol
LogP4.34
Rot. Bonds19

About (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium

(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium (PubChem CID 122204638) has the molecular formula C28H54N2O4+2 and a molecular weight of 482.75 g/mol. Its IUPAC name is (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium.

Molecular Properties

Compound Name(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium
PubChem CID122204638
Molecular FormulaC28H54N2O4+2
Molecular Weight482.75 g/mol
Exact Mass482.41
IUPAC Name(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium
SMILESCC(C)CC(=O)CC(C)CC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)CC(C)CC(=O)CC(C)C
InChIInChI=1S/C28H54N2O4/c1-21(2)13-25(31)15-23(5)17-27(33)19-29(7,8)11-12-30(9,10)20-28(34)18-24(6)16-26(32)14-22(3)4/h21-24H,11-20H2,1-10H3/q+2
InChIKeyYTRZCWVSAFNBFG-UHFFFAOYSA-N
XLogP4.34
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.75
LogP ≤ 54.34
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 (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium?
The IUPAC name of (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium (CID 122204638) is (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium.
What is the SMILES notation for (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium?
The canonical SMILES for (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium is CC(C)CC(=O)CC(C)CC(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)CC(C)CC(=O)CC(C)C.
What is the InChIKey of (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium?
The InChIKey is YTRZCWVSAFNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N2O4/c1-21(2)13-25(31)15-23(5)17-27(33)19-29(7,8)11-12-30(9,10)20-28(34)18-24(6)16-26(32)14-22(3)4/h21-24H,11-20H2,1-10H3/q+2.
What are the key properties of (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium?
(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium has a molecular weight of 482.75 g/mol, XLogP of 4.34, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium is sourced from PubChem (CID 122204638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).