bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione

C14H13Cl4NO4Rh2 — CID 59733612

About bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione

bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione (PubChem CID 59733612) has the molecular formula C14H13Cl4NO4Rh2 and a molecular weight of 606.88 g/mol. Its IUPAC name is bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
• PubChem CID: 59733612
• Molecular Formula: C14H13Cl4NO4Rh2
• Molecular Weight: 606.88 g/mol
• Exact Mass: 604.77
• IUPAC Name: bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
• SMILES: CC(C)(C)[C@@H](C(O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh]
• InChI: InChI=1S/C14H13Cl4NO4.2Rh/c1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h10,13,22-23H,1-3H3;;/t10-;;/m1../s1
• InChIKey: CLZZLSLTHOMNJG-YQFADDPSSA-N
• XLogP: 3.62
• TPSA: 77.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.88
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

The IUPAC name of bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione (CID 59733612) is bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

The canonical SMILES for bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione is CC(C)(C)[C@@H](C(O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O.[Rh].[Rh].

What is the InChIKey of bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

The InChIKey is CLZZLSLTHOMNJG-YQFADDPSSA-N. The full InChI is InChI=1S/C14H13Cl4NO4.2Rh/c1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;;/h10,13,22-23H,1-3H3;;/t10-;;/m1../s1.

What are the key properties of bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione?

bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione has a molecular weight of 606.88 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 59733612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).