tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)

C64H76N4O20Rh2 — CID 91866937

About tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)

tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium) (PubChem CID 91866937) has the molecular formula C64H76N4O20Rh2 and a molecular weight of 1427.13 g/mol. Its IUPAC name is tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium).

Molecular Properties

• Compound Name: tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)
• PubChem CID: 91866937
• Molecular Formula: C64H76N4O20Rh2
• Molecular Weight: 1427.13 g/mol
• Exact Mass: 1426.32
• IUPAC Name: tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)
• 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].[Rh]
• 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;;/t4*10-;;;;/m0000..../s1
• InChIKey: BNWWYLBCZRSVJP-SVWMVHQSSA-N
• XLogP: 8.26
• TPSA: 351.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.13
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)?

The IUPAC name of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium) (CID 91866937) is tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium).

What is the SMILES notation for tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)?

The canonical SMILES for tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium) 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].[Rh].

What is the InChIKey of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)?

The InChIKey is BNWWYLBCZRSVJP-SVWMVHQSSA-N. 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;;/t4*10-;;;;/m0000..../s1.

What are the key properties of tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium)?

tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium) has a molecular weight of 1427.13 g/mol, XLogP of 8.26, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((2R)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);ethyl acetate;bis(rhodium) is sourced from PubChem (CID 91866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).