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

C43H54N2O10Rh2 — CID 134943861

IUPAC2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)
SMILESC=Cc1ccc(COCCCCCCOc2ccc3c(c2)C(=O)N([C@H](C(O)O)C(C)(C)C)C3=O)cc1.CC(C)(C)[C@@H](C(O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
InChIInChI=1S/C29H37NO6.C14H17NO4.2Rh/c1-5-20-10-12-21(13-11-20)19-35-16-8-6-7-9-17-36-22-14-15-23-24(18-22)27(32)30(26(23)31)25(28(33)34)29(2,3)4;1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h5,10-15,18,25,28,33-34H,1,6-9,16-17,19H2,2-4H3;4-7,10,13,18-19H,1-3H3;;/t25-;10-;;/m11../s1
InChIKeyUIZVYSQMBDOCIF-BWAHKSDMSA-N
MW964.72 g/mol
LogP5.81
Rot. Bonds15

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

2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium) (PubChem CID 134943861) has the molecular formula C43H54N2O10Rh2 and a molecular weight of 964.72 g/mol. Its IUPAC name is 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium).

Molecular Properties

Compound Name2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)
PubChem CID134943861
Molecular FormulaC43H54N2O10Rh2
Molecular Weight964.72 g/mol
Exact Mass964.19
IUPAC Name2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)
SMILESC=Cc1ccc(COCCCCCCOc2ccc3c(c2)C(=O)N([C@H](C(O)O)C(C)(C)C)C3=O)cc1.CC(C)(C)[C@@H](C(O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh]
InChIInChI=1S/C29H37NO6.C14H17NO4.2Rh/c1-5-20-10-12-21(13-11-20)19-35-16-8-6-7-9-17-36-22-14-15-23-24(18-22)27(32)30(26(23)31)25(28(33)34)29(2,3)4;1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h5,10-15,18,25,28,33-34H,1,6-9,16-17,19H2,2-4H3;4-7,10,13,18-19H,1-3H3;;/t25-;10-;;/m11../s1
InChIKeyUIZVYSQMBDOCIF-BWAHKSDMSA-N
XLogP5.81
TPSA174.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.72
LogP ≤ 55.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)?
The IUPAC name of 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium) (CID 134943861) is 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium).
What is the SMILES notation for 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)?
The canonical SMILES for 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium) is C=Cc1ccc(COCCCCCCOc2ccc3c(c2)C(=O)N([C@H](C(O)O)C(C)(C)C)C3=O)cc1.CC(C)(C)[C@@H](C(O)O)N1C(=O)c2ccccc2C1=O.[Rh].[Rh].
What is the InChIKey of 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)?
The InChIKey is UIZVYSQMBDOCIF-BWAHKSDMSA-N. The full InChI is InChI=1S/C29H37NO6.C14H17NO4.2Rh/c1-5-20-10-12-21(13-11-20)19-35-16-8-6-7-9-17-36-22-14-15-23-24(18-22)27(32)30(26(23)31)25(28(33)34)29(2,3)4;1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17;;/h5,10-15,18,25,28,33-34H,1,6-9,16-17,19H2,2-4H3;4-7,10,13,18-19H,1-3H3;;/t25-;10-;;/m11../s1.
What are the key properties of 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium)?
2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium) has a molecular weight of 964.72 g/mol, XLogP of 5.81, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]-5-[6-[(4-ethenylphenyl)methoxy]hexoxy]isoindole-1,3-dione;2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione;bis(rhodium) is sourced from PubChem (CID 134943861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).