disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)

C52H108Mn2N8Na2 — CID 45259027

About disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)

disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide) (PubChem CID 45259027) has the molecular formula C52H108Mn2N8Na2 and a molecular weight of 1001.35 g/mol. Its IUPAC name is disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide).

Molecular Properties

• Compound Name: disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)
• PubChem CID: 45259027
• Molecular Formula: C52H108Mn2N8Na2
• Molecular Weight: 1001.35 g/mol
• Exact Mass: 1000.73
• IUPAC Name: disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)
• SMILES: CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CN(C)CCN(C)C.CN(C)CCN(C)C.[H]/[C-]=C\C=[C-]/[H].[Mn+2].[Mn+2].[Na+].[Na+]
• InChI: InChI=1S/4C9H18N.2C6H16N2.C4H4.2Mn.2Na/c4*1-8(2)6-5-7-9(3,4)10-8;2*1-7(2)5-6-8(3)4;1-3-4-2;;;;/h4*5-7H2,1-4H3;2*5-6H2,1-4H3;1-4H;;;;/q4*-1;;;-2;2*+2;2*+1
• InChIKey: YFAALIDUVZUARS-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 69.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.35
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)?

The IUPAC name of disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide) (CID 45259027) is disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide).

What is the SMILES notation for disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)?

The canonical SMILES for disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide) is CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CC1(C)CCCC(C)(C)[N-]1.CN(C)CCN(C)C.CN(C)CCN(C)C.[H]/[C-]=C\C=[C-]/[H].[Mn+2].[Mn+2].[Na+].[Na+].

What is the InChIKey of disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)?

The InChIKey is YFAALIDUVZUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H18N.2C6H16N2.C4H4.2Mn.2Na/c4*1-8(2)6-5-7-9(3,4)10-8;2*1-7(2)5-6-8(3)4;1-3-4-2;;;;/h4*5-7H2,1-4H3;2*5-6H2,1-4H3;1-4H;;;;/q4*-1;;;-2;2*+2;2*+1.

What are the key properties of disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide)?

disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide) has a molecular weight of 1001.35 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;buta-1,3-diene;bis(manganese(2+));bis(N,N,N',N'-tetramethylethane-1,2-diamine);tetrakis(2,2,6,6-tetramethylpiperidin-1-ide) is sourced from PubChem (CID 45259027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).