[4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate

C120H182F30O28 — CID 158605257

About [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate

[4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate (PubChem CID 158605257) has the molecular formula C120H182F30O28 and a molecular weight of 2642.69 g/mol. Its IUPAC name is [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate
• PubChem CID: 158605257
• Molecular Formula: C120H182F30O28
• Molecular Weight: 2642.69 g/mol
• Exact Mass: 2641.23
• IUPAC Name: [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1CC(OCC(O)(C(F)(F)F)C(F)(F)F)(C(C)C)C1.C=C(C)C(=O)OC1CC1(OCC(C)(C)O)C(C)C.C=C(C)C(=O)OC1CCC(OCC(O)(C(F)(F)F)C(F)(F)F)(C(C)C)CC1.C=C(C)C(=O)OC1CCCC1(OCC(C)(O)C(F)(F)F)C(C)C.C=C(C)C(=O)OC1CCCCCC(C)(OCC(O)(C(F)(F)F)C(F)(F)F)CCC1.C=C(C)C(=O)OC1CCCCCC(CC)(OCC(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCCCC(CC)(OCC(O)(C(F)(F)F)C(F)(F)F)CCC1
• InChI: InChI=1S/C20H30F6O4.C19H28F6O4.C19H31F3O4.C17H24F6O4.C16H25F3O4.C15H20F6O4.C14H24O4/c1-4-17(29-13-18(28,19(21,22)23)20(24,25)26)11-7-5-6-9-15(10-8-12-17)30-16(27)14(2)3;1-13(2)15(26)29-14-8-5-4-6-10-16(3,11-7-9-14)28-12-17(27,18(20,21)22)19(23,24)25;1-5-18(25-13-17(4,24)19(20,21)22)11-8-6-7-9-15(10-12-18)26-16(23)14(2)3;1-10(2)13(24)27-12-5-7-14(8-6-12,11(3)4)26-9-15(25,16(18,19)20)17(21,22)23;1-10(2)13(20)23-12-7-6-8-15(12,11(3)4)22-9-14(5,21)16(17,18)19;1-8(2)11(22)25-10-5-12(6-10,9(3)4)24-7-13(23,14(16,17)18)15(19,20)21;1-9(2)12(15)18-11-7-14(11,10(3)4)17-8-13(5,6)16/h15,28H,2,4-13H2,1,3H3;14,27H,1,4-12H2,2-3H3;15,24H,2,5-13H2,1,3-4H3;11-12,25H,1,5-9H2,2-4H3;11-12,21H,1,6-9H2,2-5H3;9-10,23H,1,5-7H2,2-4H3;10-11,16H,1,7-8H2,2-6H3
• InChIKey: HWDITQQCTITQKF-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 390.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2642.69
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate?

The IUPAC name of [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate (CID 158605257) is [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate.

What is the SMILES notation for [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate?

The canonical SMILES for [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(OCC(O)(C(F)(F)F)C(F)(F)F)(C(C)C)C1.C=C(C)C(=O)OC1CC1(OCC(C)(C)O)C(C)C.C=C(C)C(=O)OC1CCC(OCC(O)(C(F)(F)F)C(F)(F)F)(C(C)C)CC1.C=C(C)C(=O)OC1CCCC1(OCC(C)(O)C(F)(F)F)C(C)C.C=C(C)C(=O)OC1CCCCCC(C)(OCC(O)(C(F)(F)F)C(F)(F)F)CCC1.C=C(C)C(=O)OC1CCCCCC(CC)(OCC(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCCCC(CC)(OCC(O)(C(F)(F)F)C(F)(F)F)CCC1.

What is the InChIKey of [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate?

The InChIKey is HWDITQQCTITQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F6O4.C19H28F6O4.C19H31F3O4.C17H24F6O4.C16H25F3O4.C15H20F6O4.C14H24O4/c1-4-17(29-13-18(28,19(21,22)23)20(24,25)26)11-7-5-6-9-15(10-8-12-17)30-16(27)14(2)3;1-13(2)15(26)29-14-8-5-4-6-10-16(3,11-7-9-14)28-12-17(27,18(20,21)22)19(23,24)25;1-5-18(25-13-17(4,24)19(20,21)22)11-8-6-7-9-15(10-12-18)26-16(23)14(2)3;1-10(2)13(24)27-12-5-7-14(8-6-12,11(3)4)26-9-15(25,16(18,19)20)17(21,22)23;1-10(2)13(20)23-12-7-6-8-15(12,11(3)4)22-9-14(5,21)16(17,18)19;1-8(2)11(22)25-10-5-12(6-10,9(3)4)24-7-13(23,14(16,17)18)15(19,20)21;1-9(2)12(15)18-11-7-14(11,10(3)4)17-8-13(5,6)16/h15,28H,2,4-13H2,1,3H3;14,27H,1,4-12H2,2-3H3;15,24H,2,5-13H2,1,3-4H3;11-12,25H,1,5-9H2,2-4H3;11-12,21H,1,6-9H2,2-5H3;9-10,23H,1,5-7H2,2-4H3;10-11,16H,1,7-8H2,2-6H3.

What are the key properties of [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate?

[4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 2642.69 g/mol, XLogP of 28.86, 41 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-ethyl-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclononyl] 2-methylprop-2-enoate;[5-ethyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-propan-2-ylcyclopropyl] 2-methylprop-2-enoate;[5-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclodecyl] 2-methylprop-2-enoate;[2-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-propan-2-yl-3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclobutyl] 2-methylprop-2-enoate;[4-propan-2-yl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158605257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).