2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)

C27H34Cl2NO4Rh2- — CID 177003780

IUPAC2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)
SMILESCC[C-](CC)OC(O)[C@@H](N1C(=O)c2c(C)c(C)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
InChIInChI=1S/C27H34Cl2NO4.2Rh/c1-5-18(6-2)34-26(33)23(27-10-15-7-16(11-27)9-17(8-15)12-27)30-24(31)19-13(3)14(4)21(28)22(29)20(19)25(30)32;;/h15-17,23,26,33H,5-12H2,1-4H3;;/q-1;;/t15?,16?,17?,23-,26?,27?;;/m1../s1
InChIKeyWJNOUWKTIWOMJI-GODTWJCRSA-N
MW713.29 g/mol
LogP6.47
Rot. Bonds7

About 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)

2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium) (PubChem CID 177003780) has the molecular formula C27H34Cl2NO4Rh2- and a molecular weight of 713.29 g/mol. Its IUPAC name is 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium).

Molecular Properties

Compound Name2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)
PubChem CID177003780
Molecular FormulaC27H34Cl2NO4Rh2-
Molecular Weight713.29 g/mol
Exact Mass712.00
IUPAC Name2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)
SMILESCC[C-](CC)OC(O)[C@@H](N1C(=O)c2c(C)c(C)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
InChIInChI=1S/C27H34Cl2NO4.2Rh/c1-5-18(6-2)34-26(33)23(27-10-15-7-16(11-27)9-17(8-15)12-27)30-24(31)19-13(3)14(4)21(28)22(29)20(19)25(30)32;;/h15-17,23,26,33H,5-12H2,1-4H3;;/q-1;;/t15?,16?,17?,23-,26?,27?;;/m1../s1
InChIKeyWJNOUWKTIWOMJI-GODTWJCRSA-N
XLogP6.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.29
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
CID 134939839
2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
CID 164674899
2-[(1S)-1-(1-adamantyl)-2-hydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 59733556
2-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 69251884
2-[1-(1-Adamantyl)-2-hydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 72370189
2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 101421172
2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 164674900
2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione
CID 177003781

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)?
The IUPAC name of 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium) (CID 177003780) is 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium).
What is the SMILES notation for 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)?
The canonical SMILES for 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium) is CC[C-](CC)OC(O)[C@@H](N1C(=O)c2c(C)c(C)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh].
What is the InChIKey of 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)?
The InChIKey is WJNOUWKTIWOMJI-GODTWJCRSA-N. The full InChI is InChI=1S/C27H34Cl2NO4.2Rh/c1-5-18(6-2)34-26(33)23(27-10-15-7-16(11-27)9-17(8-15)12-27)30-24(31)19-13(3)14(4)21(28)22(29)20(19)25(30)32;;/h15-17,23,26,33H,5-12H2,1-4H3;;/q-1;;/t15?,16?,17?,23-,26?,27?;;/m1../s1.
What are the key properties of 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)?
2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium) has a molecular weight of 713.29 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium) is sourced from PubChem (CID 177003780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).