Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)

C₂₆H₂₈MoN₂O₄-6 — CID 139130092

About Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)

Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine) (PubChem CID 139130092) has the molecular formula C₂₆H₂₈MoN₂O₄-6 and a molecular weight of 528.46 g/mol. Its IUPAC name is bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine).

Molecular Properties

• Compound Name: Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)
• PubChem CID: 139130092
• Molecular Formula: C₂₆H₂₈MoN₂O₄-6
• Molecular Weight: 528.46 g/mol
• Exact Mass: 530.11
• IUPAC Name: bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)
• SMILES: Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Mo].[O-2].[O-2].c1ccncc1.c1ccncc1
• InChI: InChI=1S/2C8H10O.2C5H5N.Mo.2O/c2*1-6-4-3-5-7(2)8(6)9;2*1-2-4-6-5-3-1;;;/h2*3-5,9H,1-2H3;2*1-5H;;;/q;;;;;2*-2/p-2
• InChIKey: RFLSLOALRNLANL-UHFFFAOYSA-L
• XLogP: 4.68
• TPSA: 128.90 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.46
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)?

The IUPAC name of Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine) (CID 139130092) is bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine).

What is the SMILES notation for Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)?

The canonical SMILES for Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine) is Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Mo].[O-2].[O-2].c1ccncc1.c1ccncc1.

What is the InChIKey of Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)?

The InChIKey is RFLSLOALRNLANL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H10O.2C5H5N.Mo.2O/c2*1-6-4-3-5-7(2)8(6)9;2*1-2-4-6-5-3-1;;;/h2*3-5,9H,1-2H3;2*1-5H;;;/q;;;;;2*-2/p-2.

What are the key properties of Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)?

Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine) has a molecular weight of 528.46 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine) is sourced from PubChem (CID 139130092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139130092 — identifiers, structure, computed properties (public domain)

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