butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane

C24H50I2N2O2V — CID 159532638

About butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane

butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane (PubChem CID 159532638) has the molecular formula C24H50I2N2O2V and a molecular weight of 703.43 g/mol. Its IUPAC name is butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane
• PubChem CID: 159532638
• Molecular Formula: C24H50I2N2O2V
• Molecular Weight: 703.43 g/mol
• Exact Mass: 703.14
• IUPAC Name: butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane
• SMILES: C.CCCC.CCCOC1CC2CCC(C1)N2C.CN1C2CCC1CC(O)C2.I[V]I
• InChI: InChI=1S/C11H21NO.C8H15NO.C4H10.CH4.2HI.V/c1-3-6-13-11-7-9-4-5-10(8-11)12(9)2;1-9-6-2-3-7(9)5-8(10)4-6;1-3-4-2;;;;/h9-11H,3-8H2,1-2H3;6-8,10H,2-5H2,1H3;3-4H2,1-2H3;1H4;2*1H;/q;;;;;;+2/p-2
• InChIKey: MDEQURISMHCSSR-UHFFFAOYSA-L
• XLogP: 6.85
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.43
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane?

The IUPAC name of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane (CID 159532638) is butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane.

What is the SMILES notation for butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane?

The canonical SMILES for butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane is C.CCCC.CCCOC1CC2CCC(C1)N2C.CN1C2CCC1CC(O)C2.I[V]I.

What is the InChIKey of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane?

The InChIKey is MDEQURISMHCSSR-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H21NO.C8H15NO.C4H10.CH4.2HI.V/c1-3-6-13-11-7-9-4-5-10(8-11)12(9)2;1-9-6-2-3-7(9)5-8(10)4-6;1-3-4-2;;;;/h9-11H,3-8H2,1-2H3;6-8,10H,2-5H2,1H3;3-4H2,1-2H3;1H4;2*1H;/q;;;;;;+2/p-2.

What are the key properties of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane?

butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 703.43 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 159532638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).