cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

C58H84N10O12SSi2 — CID 158299363

About cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (PubChem CID 158299363) has the molecular formula C58H84N10O12SSi2 and a molecular weight of 1201.61 g/mol. Its IUPAC name is cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

• Compound Name: cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• PubChem CID: 158299363
• Molecular Formula: C58H84N10O12SSi2
• Molecular Weight: 1201.61 g/mol
• Exact Mass: 1200.55
• IUPAC Name: cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(S(C)(=O)=O)n(COCC[Si](C)(C)C)n3)nc2)cn1.Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(OC3CCC3)n(COCC[Si](C)(C)C)n2)nc1.OC1CCC1
• InChI: InChI=1S/C28H39N5O5Si.C26H37N5O6SSi.C4H8O/c1-19-14-24(37-17-28(2,3)26(34)35)30-16-22(19)20-10-11-23(29-15-20)25-31-27(38-21-8-7-9-21)33(32-25)18-36-12-13-39(4,5)6;1-18-13-22(37-16-26(2,3)24(32)35-4)28-15-20(18)19-9-10-21(27-14-19)23-29-25(38(5,33)34)31(30-23)17-36-11-12-39(6,7)8;5-4-2-1-3-4/h10-11,14-16,21H,7-9,12-13,17-18H2,1-6H3,(H,34,35);9-10,13-15H,11-12,16-17H2,1-8H3;4-5H,1-3H2
• InChIKey: GMHSKDBMDLBNQA-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 277.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.61
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The IUPAC name of cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (CID 158299363) is cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

What is the SMILES notation for cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The canonical SMILES for cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(S(C)(=O)=O)n(COCC[Si](C)(C)C)n3)nc2)cn1.Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(OC3CCC3)n(COCC[Si](C)(C)C)n2)nc1.OC1CCC1.

What is the InChIKey of cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The InChIKey is GMHSKDBMDLBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O5Si.C26H37N5O6SSi.C4H8O/c1-19-14-24(37-17-28(2,3)26(34)35)30-16-22(19)20-10-11-23(29-15-20)25-31-27(38-21-8-7-9-21)33(32-25)18-36-12-13-39(4,5)6;1-18-13-22(37-16-26(2,3)24(32)35-4)28-15-20(18)19-9-10-21(27-14-19)23-29-25(38(5,33)34)31(30-23)17-36-11-12-39(6,7)8;5-4-2-1-3-4/h10-11,14-16,21H,7-9,12-13,17-18H2,1-6H3,(H,34,35);9-10,13-15H,11-12,16-17H2,1-8H3;4-5H,1-3H2.

What are the key properties of cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 1201.61 g/mol, XLogP of 9.98, 25 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 158299363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).