(2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate

C96H113F29O33 — CID 167669457

About (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate

(2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate (PubChem CID 167669457) has the molecular formula C96H113F29O33 and a molecular weight of 2345.87 g/mol. Its IUPAC name is (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate
• PubChem CID: 167669457
• Molecular Formula: C96H113F29O33
• Molecular Weight: 2345.87 g/mol
• Exact Mass: 2344.67
• IUPAC Name: (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OC.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.C=C(C)C(=O)OCC(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OCC(=O)OCC(F)(F)F.C=C(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OC1CCCCC1.C=C(C)C(=O)Oc1ccccc1OC(C)=O
• InChI: InChI=1S/C17H20F6O6.C16H14F6O6.C14H24O2.C12H14F6O5.C12H12O4.C10H14F2O4.C8H9F3O4.C7H6F6O2/c1-10(2)12(24)27-8-9-28-13(25)15(18,19)17(22,23)16(20,21)14(26)29-11-6-4-3-5-7-11;1-5(2)10(23)26-8-6-3-7-9(8)27-12(24)14(7,4-6)13(25)28-11(15(17,18)19)16(20,21)22;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-6(2)8(20)22-5-7(19)23-9(3,4)10(21,11(13,14)15)12(16,17)18;1-8(2)12(14)16-11-7-5-4-6-10(11)15-9(3)13;1-5-7(16-8(13)6(2)3)10(11,12)9(14)15-4;1-5(2)7(13)14-3-6(12)15-4-8(9,10)11;1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h11H,1,3-9H2,2H3;6-9,11H,1,3-4H2,2H3;2,4-11H2,1,3H3;21H,1,5H2,2-4H3;4-7H,1H2,2-3H3;7H,2,5H2,1,3-4H3;1,3-4H2,2H3;5H,1H2,2H3
• InChIKey: TWTIBQBXGCYFRT-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 441.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2345.87
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate?

The IUPAC name of (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate (CID 167669457) is (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate.

What is the SMILES notation for (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate?

The canonical SMILES for (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OC(CC)C(F)(F)C(=O)OC.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.C=C(C)C(=O)OCC(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.C=C(C)C(=O)OCC(=O)OCC(F)(F)F.C=C(C)C(=O)OCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OC1CCCCC1.C=C(C)C(=O)Oc1ccccc1OC(C)=O.

What is the InChIKey of (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate?

The InChIKey is TWTIBQBXGCYFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6O6.C16H14F6O6.C14H24O2.C12H14F6O5.C12H12O4.C10H14F2O4.C8H9F3O4.C7H6F6O2/c1-10(2)12(24)27-8-9-28-13(25)15(18,19)17(22,23)16(20,21)14(26)29-11-6-4-3-5-7-11;1-5(2)10(23)26-8-6-3-7-9(8)27-12(24)14(7,4-6)13(25)28-11(15(17,18)19)16(20,21)22;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-6(2)8(20)22-5-7(19)23-9(3,4)10(21,11(13,14)15)12(16,17)18;1-8(2)12(14)16-11-7-5-4-6-10(11)15-9(3)13;1-5-7(16-8(13)6(2)3)10(11,12)9(14)15-4;1-5(2)7(13)14-3-6(12)15-4-8(9,10)11;1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h11H,1,3-9H2,2H3;6-9,11H,1,3-4H2,2H3;2,4-11H2,1,3H3;21H,1,5H2,2-4H3;4-7H,1H2,2-3H3;7H,2,5H2,1,3-4H3;1,3-4H2,2H3;5H,1H2,2H3.

What are the key properties of (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate?

(2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate has a molecular weight of 2345.87 g/mol, XLogP of 19.77, 35 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2-acetyloxyphenyl) 2-methylprop-2-enoate;1-O-cyclohexyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2,2,3,3,4,4-hexafluoropentanedioate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;methyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate;[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 167669457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).