tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))

C64H72N4O20Rh2 — CID 44630527

About tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))

tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)) (PubChem CID 44630527) has the molecular formula C64H72N4O20Rh2 and a molecular weight of 1423.10 g/mol. Its IUPAC name is tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)).

Molecular Properties

• Compound Name: tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))
• PubChem CID: 44630527
• Molecular Formula: C64H72N4O20Rh2
• Molecular Weight: 1423.10 g/mol
• Exact Mass: 1422.28
• IUPAC Name: tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))
• SMILES: CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CCOC(C)=O.CCOC(C)=O.[Rh+2].[Rh+2]
• InChI: InChI=1S/4C14H15NO4.2C4H8O2.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;2*1-3-6-4(2)5;;/h4*4-7,10H,1-3H3,(H,18,19);2*3H2,1-2H3;;/q;;;;;;2*+2/p-4/t4*10-;;;;/m1111..../s1
• InChIKey: WEPQIXHMGRKMPK-ASOXNVSESA-J
• XLogP: 2.92
• TPSA: 362.64 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1423.10
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))?

The IUPAC name of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)) (CID 44630527) is tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)).

What is the SMILES notation for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))?

The canonical SMILES for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)) is CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.CCOC(C)=O.CCOC(C)=O.[Rh+2].[Rh+2].

What is the InChIKey of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))?

The InChIKey is WEPQIXHMGRKMPK-ASOXNVSESA-J. The full InChI is InChI=1S/4C14H15NO4.2C4H8O2.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;2*1-3-6-4(2)5;;/h4*4-7,10H,1-3H3,(H,18,19);2*3H2,1-2H3;;/q;;;;;;2*+2/p-4/t4*10-;;;;/m1111..../s1.

What are the key properties of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+))?

tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)) has a molecular weight of 1423.10 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoate);ethyl acetate;bis(rhodium(2+)) is sourced from PubChem (CID 44630527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).