4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium

C61H64F4O15S2 — CID 158853239

About 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium

4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium (PubChem CID 158853239) has the molecular formula C61H64F4O15S2 and a molecular weight of 1177.29 g/mol. Its IUPAC name is 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium.

Molecular Properties

• Compound Name: 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium
• PubChem CID: 158853239
• Molecular Formula: C61H64F4O15S2
• Molecular Weight: 1177.29 g/mol
• Exact Mass: 1176.36
• IUPAC Name: 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium
• SMILES: C=C(C)C(=O)OC(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCC.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)Oc1ccc(O)cc1.C=Cc1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H15S.C13H18F4O8S.C12H14O4.C10H10O3.C8H8/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-23-10(19)11(4,25-9(18)8(2)3)24-7-6-12(14,15)13(16,17)26(20,21)22;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2-8-6-4-3-5-7-8/h1-15H;2,5-7H2,1,3-4H3,(H,20,21,22);6-10H,1,3-4H2,2H3;3-6,11H,1H2,2H3;2-7H,1H2/q+1;;;;/p-1
• InChIKey: IZSLFKHHEQYDPH-UHFFFAOYSA-M
• XLogP: 11.61
• TPSA: 218.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.29
LogP ≤ 5	11.61
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': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium?

The IUPAC name of 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium (CID 158853239) is 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium.

What is the SMILES notation for 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium?

The canonical SMILES for 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium is C=C(C)C(=O)OC(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OCC.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)Oc1ccc(O)cc1.C=Cc1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium?

The InChIKey is IZSLFKHHEQYDPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15S.C13H18F4O8S.C12H14O4.C10H10O3.C8H8/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-23-10(19)11(4,25-9(18)8(2)3)24-7-6-12(14,15)13(16,17)26(20,21)22;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2-8-6-4-3-5-7-8/h1-15H;2,5-7H2,1,3-4H3,(H,20,21,22);6-10H,1,3-4H2,2H3;3-6,11H,1H2,2H3;2-7H,1H2/q+1;;;;/p-1.

What are the key properties of 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium?

4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium has a molecular weight of 1177.29 g/mol, XLogP of 11.61, 18 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-ethoxy-2-(2-methylprop-2-enoyloxy)-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;styrene;triphenylsulfanium is sourced from PubChem (CID 158853239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).