[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate

C125H200F18O32 — CID 160571537

About [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate

[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate (PubChem CID 160571537) has the molecular formula C125H200F18O32 and a molecular weight of 2556.91 g/mol. Its IUPAC name is [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate
• PubChem CID: 160571537
• Molecular Formula: C125H200F18O32
• Molecular Weight: 2556.91 g/mol
• Exact Mass: 2555.37
• IUPAC Name: [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)C1CCC(CC)(OCC(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(CC)(OCC(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(CC)(OCC(O)(C(F)(F)F)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCC(C)(OCC(C)(C)O)C1.C=C(C)C(=O)OC1CCCC1(CC)OCC(C)(O)C(F)(F)F.C=C(C)C(=O)OC1CCCCC1(C)OCC(C)(C)O.C=C(C)C(=O)OC1CCCCC1(CC)OCC(C)(C)O.C=C(C)C(=O)OCC1CCC(CC)(OCC(C)(O)C(F)(F)F)C1
• InChI: InChI=1S/C17H27F3O4.C16H22F6O4.C16H25F3O4.C16H28O4.2C15H23F3O4.2C15H26O4/c1-6-16(23-10-15(5,22)17(18,19)20)8-7-13(9-16)12(4)24-14(21)11(2)3;1-4-13(7-5-11(6-8-13)26-12(23)10(2)3)25-9-14(24,15(17,18)19)16(20,21)22;1-5-15(23-10-14(4,21)16(17,18)19)7-6-12(8-15)9-22-13(20)11(2)3;1-6-16(19-11-15(4,5)18)10-8-7-9-13(16)20-14(17)12(2)3;1-5-14(21-9-13(4,20)15(16,17)18)7-6-11(8-14)22-12(19)10(2)3;1-5-14(21-9-13(4,20)15(16,17)18)8-6-7-11(14)22-12(19)10(2)3;1-11(2)13(16)19-12-7-6-8-15(5,9-12)18-10-14(3,4)17;1-11(2)13(16)19-12-8-6-7-9-15(12,5)18-10-14(3,4)17/h12-13,22H,2,6-10H2,1,3-5H3;11,24H,2,4-9H2,1,3H3;12,21H,2,5-10H2,1,3-4H3;13,18H,2,6-11H2,1,3-5H3;2*11,20H,2,5-9H2,1,3-4H3;2*12,17H,1,6-10H2,2-5H3
• InChIKey: RAPPLIGFXHXLIN-UHFFFAOYSA-N
• XLogP: 25.67
• TPSA: 446.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2556.91
LogP ≤ 5	25.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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 [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate?

The IUPAC name of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate (CID 160571537) is [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate.

What is the SMILES notation for [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate?

The canonical SMILES for [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1CCC(CC)(OCC(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(CC)(OCC(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(CC)(OCC(O)(C(F)(F)F)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCC(C)(OCC(C)(C)O)C1.C=C(C)C(=O)OC1CCCC1(CC)OCC(C)(O)C(F)(F)F.C=C(C)C(=O)OC1CCCCC1(C)OCC(C)(C)O.C=C(C)C(=O)OC1CCCCC1(CC)OCC(C)(C)O.C=C(C)C(=O)OCC1CCC(CC)(OCC(C)(O)C(F)(F)F)C1.

What is the InChIKey of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate?

The InChIKey is RAPPLIGFXHXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3O4.C16H22F6O4.C16H25F3O4.C16H28O4.2C15H23F3O4.2C15H26O4/c1-6-16(23-10-15(5,22)17(18,19)20)8-7-13(9-16)12(4)24-14(21)11(2)3;1-4-13(7-5-11(6-8-13)26-12(23)10(2)3)25-9-14(24,15(17,18)19)16(20,21)22;1-5-15(23-10-14(4,21)16(17,18)19)7-6-12(8-15)9-22-13(20)11(2)3;1-6-16(19-11-15(4,5)18)10-8-7-9-13(16)20-14(17)12(2)3;1-5-14(21-9-13(4,20)15(16,17)18)7-6-11(8-14)22-12(19)10(2)3;1-5-14(21-9-13(4,20)15(16,17)18)8-6-7-11(14)22-12(19)10(2)3;1-11(2)13(16)19-12-7-6-8-15(5,9-12)18-10-14(3,4)17;1-11(2)13(16)19-12-8-6-7-9-15(12,5)18-10-14(3,4)17/h12-13,22H,2,6-10H2,1,3-5H3;11,24H,2,4-9H2,1,3H3;12,21H,2,5-10H2,1,3-4H3;13,18H,2,6-11H2,1,3-5H3;2*11,20H,2,5-9H2,1,3-4H3;2*12,17H,1,6-10H2,2-5H3.

What are the key properties of [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate?

[2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate has a molecular weight of 2556.91 g/mol, XLogP of 25.67, 48 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethyl-2-(2-hydroxy-2-methylpropoxy)cyclohexyl] 2-methylprop-2-enoate;1-[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]ethyl 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl]methyl 2-methylprop-2-enoate;[2-ethyl-2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[3-ethyl-3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclopentyl] 2-methylprop-2-enoate;[4-ethyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]cyclohexyl] 2-methylprop-2-enoate;[2-(2-hydroxy-2-methylpropoxy)-2-methylcyclohexyl] 2-methylprop-2-enoate;[3-(2-hydroxy-2-methylpropoxy)-3-methylcyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 160571537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).