dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)

C90H148Mn6N4O30 — CID 139070882

About dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)

dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine) (PubChem CID 139070882) has the molecular formula C90H148Mn6N4O30 and a molecular weight of 2095.80 g/mol. Its IUPAC name is dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine).

Molecular Properties

• Compound Name: dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)
• PubChem CID: 139070882
• Molecular Formula: C90H148Mn6N4O30
• Molecular Weight: 2095.80 g/mol
• Exact Mass: 2094.65
• IUPAC Name: dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)
• SMILES: CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/4C5H5N.14C5H10O2.6Mn.2O/c4*1-2-4-6-5-3-1;14*1-5(2,3)4(6)7;;;;;;;;/h4*1-5H;14*1-3H3,(H,6,7);;;;;;;;/q;;;;;;;;;;;;;;;;;;2*+2;4*+3;2*-2/p-12
• InChIKey: RJNMYCKBQQYZJC-UHFFFAOYSA-B
• XLogP: 3.70
• TPSA: 664.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2095.80
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)?

The IUPAC name of dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine) (CID 139070882) is dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine).

What is the SMILES notation for dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)?

The canonical SMILES for dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine) is CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.

What is the InChIKey of dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)?

The InChIKey is RJNMYCKBQQYZJC-UHFFFAOYSA-B. The full InChI is InChI=1S/4C5H5N.14C5H10O2.6Mn.2O/c4*1-2-4-6-5-3-1;14*1-5(2,3)4(6)7;;;;;;;;/h4*1-5H;14*1-3H3,(H,6,7);;;;;;;;/q;;;;;;;;;;;;;;;;;;2*+2;4*+3;2*-2/p-12.

What are the key properties of dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine)?

dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine) has a molecular weight of 2095.80 g/mol, XLogP of 3.70, 0 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for dodecakis(2,2-dimethylpropanoate);bis(2,2-dimethylpropanoic acid);bis(manganese(2+));tetrakis(manganese(3+));bis(oxygen(2-));tetrakis(pyridine) is sourced from PubChem (CID 139070882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).