magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide

C97H148F2IMgN5O10Si4 — CID 158988324

About magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide

magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide (PubChem CID 158988324) has the molecular formula C97H148F2IMgN5O10Si4 and a molecular weight of 1845.82 g/mol. Its IUPAC name is magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide.

Molecular Properties

• Compound Name: magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide
• PubChem CID: 158988324
• Molecular Formula: C97H148F2IMgN5O10Si4
• Molecular Weight: 1845.82 g/mol
• Exact Mass: 1843.92
• IUPAC Name: magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide
• SMILES: COC(=O)C1=CC[C@@H]2CC[C@H]1N2C.COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2CCCF.COC(=O)[C@H]1[C@@H](c2ccc([Si](C)(C)C)cc2)C[C@@H]2CC[C@H]1N2.COC(=O)[C@H]1[C@@H](c2ccc([Si](C)(C)C)cc2)C[C@@H]2CC[C@H]1N2C.COC(=O)[C@H]1[C@@H](c2ccc([Si](C)(C)C)cc2)C[C@@H]2CC[C@H]1N2CCCF.Cc1ccc([Si](C)(C)C)cc1.I.[H-].[H-].[Mg+2]
• InChI: InChI=1S/C21H32FNO2Si.C19H26FNO2.C19H29NO2Si.C18H27NO2Si.C10H15NO2.C10H16Si.HI.Mg.2H/c1-25-21(24)20-18(15-6-9-17(10-7-15)26(2,3)4)14-16-8-11-19(20)23(16)13-5-12-22;1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20;1-20-14-8-11-17(20)18(19(21)22-2)16(12-14)13-6-9-15(10-7-13)23(3,4)5;1-21-18(20)17-15(11-13-7-10-16(17)19-13)12-5-8-14(9-6-12)22(2,3)4;1-11-7-3-5-8(10(12)13-2)9(11)6-4-7;1-9-5-7-10(8-6-9)11(2,3)4;;;;/h6-7,9-10,16,18-20H,5,8,11-14H2,1-4H3;4-7,15-18H,3,8-12H2,1-2H3;6-7,9-10,14,16-18H,8,11-12H2,1-5H3;5-6,8-9,13,15-17,19H,7,10-11H2,1-4H3;5,7,9H,3-4,6H2,1-2H3;5-8H,1-4H3;1H;;;/q;;;;;;;+2;2*-1/t16-,18+,19+,20-;15-,16+,17+,18-;14-,16+,17+,18-;13-,15+,16+,17-;7-,9-;;;;;/m00001...../s1
• InChIKey: SMCONUMGPWRIMJ-SILYYFSWSA-N
• XLogP: 16.72
• TPSA: 156.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.82
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide?

The IUPAC name of magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide (CID 158988324) is magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide.

What is the SMILES notation for magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide?

The canonical SMILES for magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide is COC(=O)C1=CC[C@@H]2CC[C@H]1N2C.COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2CCCF.COC(=O)[C@H]1[C@@H](c2ccc([Si](C)(C)C)cc2)C[C@@H]2CC[C@H]1N2.COC(=O)[C@H]1[C@@H](c2ccc([Si](C)(C)C)cc2)C[C@@H]2CC[C@H]1N2C.COC(=O)[C@H]1[C@@H](c2ccc([Si](C)(C)C)cc2)C[C@@H]2CC[C@H]1N2CCCF.Cc1ccc([Si](C)(C)C)cc1.I.[H-].[H-].[Mg+2].

What is the InChIKey of magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide?

The InChIKey is SMCONUMGPWRIMJ-SILYYFSWSA-N. The full InChI is InChI=1S/C21H32FNO2Si.C19H26FNO2.C19H29NO2Si.C18H27NO2Si.C10H15NO2.C10H16Si.HI.Mg.2H/c1-25-21(24)20-18(15-6-9-17(10-7-15)26(2,3)4)14-16-8-11-19(20)23(16)13-5-12-22;1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20;1-20-14-8-11-17(20)18(19(21)22-2)16(12-14)13-6-9-15(10-7-13)23(3,4)5;1-21-18(20)17-15(11-13-7-10-16(17)19-13)12-5-8-14(9-6-12)22(2,3)4;1-11-7-3-5-8(10(12)13-2)9(11)6-4-7;1-9-5-7-10(8-6-9)11(2,3)4;;;;/h6-7,9-10,16,18-20H,5,8,11-14H2,1-4H3;4-7,15-18H,3,8-12H2,1-2H3;6-7,9-10,14,16-18H,8,11-12H2,1-5H3;5-6,8-9,13,15-17,19H,7,10-11H2,1-4H3;5,7,9H,3-4,6H2,1-2H3;5-8H,1-4H3;1H;;;/q;;;;;;;+2;2*-1/t16-,18+,19+,20-;15-,16+,17+,18-;14-,16+,17+,18-;13-,15+,16+,17-;7-,9-;;;;;/m00001...../s1.

What are the key properties of magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide?

magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide has a molecular weight of 1845.82 g/mol, XLogP of 16.72, 19 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;hydride;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl (1R,2S,3S,5S)-8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl (1R,2S,3S,5S)-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;trimethyl-(4-methylphenyl)silane;hydroiodide is sourced from PubChem (CID 158988324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).