lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide

C100H127F9LiN3O15 — CID 159152981

About lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide

lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide (PubChem CID 159152981) has the molecular formula C100H127F9LiN3O15 and a molecular weight of 1789.04 g/mol. Its IUPAC name is lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide
• PubChem CID: 159152981
• Molecular Formula: C100H127F9LiN3O15
• Molecular Weight: 1789.04 g/mol
• Exact Mass: 1787.93
• IUPAC Name: lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide
• SMILES: COC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1.COC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN[C@@H](C)[C@H](O)c3cc(C)cc(C(F)(F)F)c3)CC(C)(C)CC2)c1.COc1ccc(CC(C)(C)C(=O)O)cc1C1=C(CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1.[Li+].[OH-]
• InChI: InChI=1S/C34H42F3NO5.C33H40F3NO5.C33H44F3NO4.Li.H2O/c1-20-13-23(16-25(14-20)34(35,36)37)29-21(2)38(31(40)43-29)19-24-18-32(3,4)12-11-26(24)27-15-22(9-10-28(27)41-7)17-33(5,6)30(39)42-8;1-19-12-22(15-24(13-19)33(34,35)36)28-20(2)37(30(40)42-28)18-23-17-31(3,4)11-10-25(23)26-14-21(8-9-27(26)41-7)16-32(5,6)29(38)39;1-20-13-23(16-25(14-20)33(34,35)36)29(38)21(2)37-19-24-18-31(3,4)12-11-26(24)27-15-22(9-10-28(27)40-7)17-32(5,6)30(39)41-8;;/h9-10,13-16,21,29H,11-12,17-19H2,1-8H3;8-9,12-15,20,28H,10-11,16-18H2,1-7H3,(H,38,39);9-10,13-16,21,29,37-38H,11-12,17-19H2,1-8H3;;1H2/q;;;+1;/p-1/t21-,29-;20-,28-;21-,29-;;/m000../s1
• InChIKey: KJNOUKGHTPFPEY-MXLMLOINSA-M
• XLogP: 20.80
• TPSA: 238.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1789.04
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide?

The IUPAC name of lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide (CID 159152981) is lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide.

What is the SMILES notation for lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide?

The canonical SMILES for lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide is COC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1.COC(=O)C(C)(C)Cc1ccc(OC)c(C2=C(CN[C@@H](C)[C@H](O)c3cc(C)cc(C(F)(F)F)c3)CC(C)(C)CC2)c1.COc1ccc(CC(C)(C)C(=O)O)cc1C1=C(CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1.[Li+].[OH-].

What is the InChIKey of lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide?

The InChIKey is KJNOUKGHTPFPEY-MXLMLOINSA-M. The full InChI is InChI=1S/C34H42F3NO5.C33H40F3NO5.C33H44F3NO4.Li.H2O/c1-20-13-23(16-25(14-20)34(35,36)37)29-21(2)38(31(40)43-29)19-24-18-32(3,4)12-11-26(24)27-15-22(9-10-28(27)41-7)17-33(5,6)30(39)42-8;1-19-12-22(15-24(13-19)33(34,35)36)28-20(2)37(30(40)42-28)18-23-17-31(3,4)11-10-25(23)26-14-21(8-9-27(26)41-7)16-32(5,6)29(38)39;1-20-13-23(16-25(14-20)33(34,35)36)29(38)21(2)37-19-24-18-31(3,4)12-11-26(24)27-15-22(9-10-28(27)40-7)17-32(5,6)30(39)41-8;;/h9-10,13-16,21,29H,11-12,17-19H2,1-8H3;8-9,12-15,20,28H,10-11,16-18H2,1-7H3,(H,38,39);9-10,13-16,21,29,37-38H,11-12,17-19H2,1-8H3;;1H2/q;;;+1;/p-1/t21-,29-;20-,28-;21-,29-;;/m000../s1.

What are the key properties of lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide?

lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide has a molecular weight of 1789.04 g/mol, XLogP of 20.80, 26 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoic acid;methyl 3-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;methyl 3-[3-[2-[[[(1R,2S)-1-hydroxy-1-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-2,2-dimethylpropanoate;hydroxide is sourced from PubChem (CID 159152981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).