4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)

C20H28N2O8Pt — CID 138398278

About 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)

4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+) (PubChem CID 138398278) has the molecular formula C20H28N2O8Pt and a molecular weight of 619.53 g/mol. Its IUPAC name is 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+).

Molecular Properties

• Compound Name: 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)
• PubChem CID: 138398278
• Molecular Formula: C20H28N2O8Pt
• Molecular Weight: 619.53 g/mol
• Exact Mass: 619.15
• IUPAC Name: 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)
• SMILES: C/C([O-])=C1\C(=O)O[C@@H](C)C1=O.CC(=O)C1=C([O-])C(C)OC1=O.NC1CCCCC1N.[Pt+2]
• InChI: InChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h4,9H,1-2H3;4,8H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2/b;5-3+;;/t;4-;;/m.0../s1
• InChIKey: WPJZSMXCKIQFTA-VFSPEQGBSA-L
• XLogP: -1.52
• TPSA: 184.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.53
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)?

The IUPAC name of 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+) (CID 138398278) is 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+).

What is the SMILES notation for 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)?

The canonical SMILES for 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+) is C/C([O-])=C1\C(=O)O[C@@H](C)C1=O.CC(=O)C1=C([O-])C(C)OC1=O.NC1CCCCC1N.[Pt+2].

What is the InChIKey of 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)?

The InChIKey is WPJZSMXCKIQFTA-VFSPEQGBSA-L. The full InChI is InChI=1S/2C7H8O4.C6H14N2.Pt/c2*1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h4,9H,1-2H3;4,8H,1-2H3;5-6H,1-4,7-8H2;/q;;;+2/p-2/b;5-3+;;/t;4-;;/m.0../s1.

What are the key properties of 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+)?

4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+) has a molecular weight of 619.53 g/mol, XLogP of -1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;(1E)-1-[(5S)-5-methyl-2,4-dioxooxolan-3-ylidene]ethanolate;platinum(2+) is sourced from PubChem (CID 138398278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).