tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)

C56H60N4O16Rh2 — CID 121233844

IUPACtetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)
SMILESCC(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.[Rh].[Rh]
InChIInChI=1S/4C14H15NO4.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h4*4-7,10H,1-3H3,(H,18,19);;/t4*10-;;/m1111../s1
InChIKeyYLYYLWVDQDPYHB-MYHKTDPMSA-N
MW1250.92 g/mol
LogP7.12
Rot. Bonds8

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

tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) (PubChem CID 121233844) has the molecular formula C56H60N4O16Rh2 and a molecular weight of 1250.92 g/mol. Its IUPAC name is tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium).

Molecular Properties

Compound Nametetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)
PubChem CID121233844
Molecular FormulaC56H60N4O16Rh2
Molecular Weight1250.92 g/mol
Exact Mass1250.21
IUPAC Nametetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)
SMILESCC(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.[Rh].[Rh]
InChIInChI=1S/4C14H15NO4.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h4*4-7,10H,1-3H3,(H,18,19);;/t4*10-;;/m1111../s1
InChIKeyYLYYLWVDQDPYHB-MYHKTDPMSA-N
XLogP7.12
TPSA298.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.92
LogP ≤ 57.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)?
The IUPAC name of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) (CID 121233844) is tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium).
What is the SMILES notation for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)?
The canonical SMILES for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);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.[Rh].[Rh].
What is the InChIKey of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)?
The InChIKey is YLYYLWVDQDPYHB-MYHKTDPMSA-N. The full InChI is InChI=1S/4C14H15NO4.2Rh/c4*1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h4*4-7,10H,1-3H3,(H,18,19);;/t4*10-;;/m1111../s1.
What are the key properties of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium)?
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) has a molecular weight of 1250.92 g/mol, XLogP of 7.12, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid);bis(rhodium) is sourced from PubChem (CID 121233844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).