(1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium

C75H94F6O18S2 — CID 157248894

About (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium

(1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium (PubChem CID 157248894) has the molecular formula C75H94F6O18S2 and a molecular weight of 1461.68 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium.

Molecular Properties

• Compound Name: (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium
• PubChem CID: 157248894
• Molecular Formula: C75H94F6O18S2
• Molecular Weight: 1461.68 g/mol
• Exact Mass: 1460.58
• IUPAC Name: (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium
• SMILES: C=C(C)C(=O)OC(C)C(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OCCCS(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H15S.C14H18F6O5.C14H20O2.C12H14O4.C10H16O2.C7H12O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)9(21)23-8(3)12(13(15,16)17,14(18,19)20)25-10(22)24-11(4,5)6;1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-8(2)9(11)12-10(3)6-4-5-7-10;1-6(2)7(8)12-4-3-5-13(9,10)11/h1-15H;8H,1H2,2-6H3;9-13H,1,3-7H2,2H3;6-10H,1,3-4H2,2H3;1,4-7H2,2-3H3;1,3-5H2,2H3,(H,9,10,11)/q+1;;;;;/p-1
• InChIKey: AWCLIKGCHBZHDC-UHFFFAOYSA-M
• XLogP: 15.56
• TPSA: 250.53 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.68
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium?

The IUPAC name of (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium (CID 157248894) is (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium.

What is the SMILES notation for (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium?

The canonical SMILES for (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium is C=C(C)C(=O)OC(C)C(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OCCCS(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium?

The InChIKey is AWCLIKGCHBZHDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15S.C14H18F6O5.C14H20O2.C12H14O4.C10H16O2.C7H12O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)9(21)23-8(3)12(13(15,16)17,14(18,19)20)25-10(22)24-11(4,5)6;1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-8(2)9(11)12-10(3)6-4-5-7-10;1-6(2)7(8)12-4-3-5-13(9,10)11/h1-15H;8H,1H2,2-6H3;9-13H,1,3-7H2,2H3;6-10H,1,3-4H2,2H3;1,4-7H2,2-3H3;1,3-5H2,2H3,(H,9,10,11)/q+1;;;;;/p-1.

What are the key properties of (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium?

(1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium has a molecular weight of 1461.68 g/mol, XLogP of 15.56, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopentyl) 2-methylprop-2-enoate;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate;[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;triphenylsulfanium is sourced from PubChem (CID 157248894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).