3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate

C103H178F3N3O23Si5 — CID 159924098

About 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate

3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate (PubChem CID 159924098) has the molecular formula C103H178F3N3O23Si5 and a molecular weight of 2023.98 g/mol. Its IUPAC name is 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate
• PubChem CID: 159924098
• Molecular Formula: C103H178F3N3O23Si5
• Molecular Weight: 2023.98 g/mol
• Exact Mass: 2022.16
• IUPAC Name: 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C(=O)ON1C(=O)C2C3CCC(C3)C2C1=O.CCC(C)c1ccc(C(C)(C)C)cc1.C[Si](C)(C)O
• InChI: InChI=1S/2C15H19NO4.C15H21NO4.C15H36O4Si3.C14H22.C11H24O2Si.C9H15F3O2.C6H12O2.C3H10OSi/c2*1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-4-15(2,3)14(19)20-16-12(17)10-8-5-6-9(7-8)11(10)13(16)18;1-10-15(2,3)14(16)17-12-11-13-20(18-21(4,5)6)19-22(7,8)9;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-7-11(2,3)10(12)13-8-9-14(4,5)6;1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-6(2,3)5(7)8;1-5(2,3)4/h2*8-11H,4-6H2,1-3H3;8-11H,4-7H2,1-3H3;20H,10-13H2,1-9H3;7-11H,6H2,1-5H3;7-9H2,1-6H3;6H,5H2,1-4H3;4H2,1-3H3,(H,7,8);4H,1-3H3
• InChIKey: NYUBMXVTJMDFFV-UHFFFAOYSA-N
• XLogP: 22.85
• TPSA: 371.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.98
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate?

The IUPAC name of 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate (CID 159924098) is 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate.

What is the SMILES notation for 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate?

The canonical SMILES for 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C.CCC(C)(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C(=O)ON1C(=O)C2C3CCC(C3)C2C1=O.CCC(C)c1ccc(C(C)(C)C)cc1.C[Si](C)(C)O.

What is the InChIKey of 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate?

The InChIKey is NYUBMXVTJMDFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19NO4.C15H21NO4.C15H36O4Si3.C14H22.C11H24O2Si.C9H15F3O2.C6H12O2.C3H10OSi/c2*1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-4-15(2,3)14(19)20-16-12(17)10-8-5-6-9(7-8)11(10)13(16)18;1-10-15(2,3)14(16)17-12-11-13-20(18-21(4,5)6)19-22(7,8)9;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-7-11(2,3)10(12)13-8-9-14(4,5)6;1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-6(2,3)5(7)8;1-5(2,3)4/h2*8-11H,4-6H2,1-3H3;8-11H,4-7H2,1-3H3;20H,10-13H2,1-9H3;7-11H,6H2,1-5H3;7-9H2,1-6H3;6H,5H2,1-4H3;4H2,1-3H3,(H,7,8);4H,1-3H3.

What are the key properties of 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate?

3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate has a molecular weight of 2023.98 g/mol, XLogP of 22.85, 31 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bis(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate;1-butan-2-yl-4-tert-butylbenzene;bis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);2,2-dimethylbutanoic acid;(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl) 2,2-dimethylbutanoate;hydroxy(trimethyl)silane;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;2-trimethylsilylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 159924098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).