[3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate

C116H159F9O24 — CID 162127244

About [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate

[3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 162127244) has the molecular formula C116H159F9O24 and a molecular weight of 2108.51 g/mol. Its IUPAC name is [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 162127244
• Molecular Formula: C116H159F9O24
• Molecular Weight: 2108.51 g/mol
• Exact Mass: 2107.11
• IUPAC Name: [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1ccc(C(C)(C)OC(C)C(C)(O)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(C(CC)(CC)OC(C)C(C)(O)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(C2(OC(C)C(C)(O)C(F)(F)F)CCCC2)cc1.C=C(C)C(=O)Oc1cccc(C(C)(C)OC(C)C(C)(C)O)c1.C=C(C)C(=O)Oc1cccc(C(CC)(CC)OC(C)C(C)(C)O)c1.C=C(C)C(=O)Oc1cccc(C2(OC(C)C(C)(C)O)CCCC2)c1
• InChI: InChI=1S/C20H25F3O4.C20H27F3O4.C20H28O4.C20H30O4.C18H23F3O4.C18H26O4/c1-13(2)17(24)26-16-9-7-15(8-10-16)19(11-5-6-12-19)27-14(3)18(4,25)20(21,22)23;1-7-19(8-2,27-14(5)18(6,25)20(21,22)23)15-9-11-16(12-10-15)26-17(24)13(3)4;1-14(2)18(21)23-17-10-8-9-16(13-17)20(11-6-7-12-20)24-15(3)19(4,5)22;1-8-20(9-2,24-15(5)19(6,7)22)16-11-10-12-17(13-16)23-18(21)14(3)4;1-11(2)15(22)24-14-9-7-13(8-10-14)16(4,5)25-12(3)17(6,23)18(19,20)21;1-12(2)16(19)21-15-10-8-9-14(11-15)18(6,7)22-13(3)17(4,5)20/h7-10,14,25H,1,5-6,11-12H2,2-4H3;9-12,14,25H,3,7-8H2,1-2,4-6H3;8-10,13,15,22H,1,6-7,11-12H2,2-5H3;10-13,15,22H,3,8-9H2,1-2,4-7H3;7-10,12,23H,1H2,2-6H3;8-11,13,20H,1H2,2-7H3
• InChIKey: ZIEULZREBZNPCK-UHFFFAOYSA-N
• XLogP: 25.73
• TPSA: 334.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.51
LogP ≤ 5	25.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate (CID 162127244) is [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(C)(C)OC(C)C(C)(O)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(C(CC)(CC)OC(C)C(C)(O)C(F)(F)F)cc1.C=C(C)C(=O)Oc1ccc(C2(OC(C)C(C)(O)C(F)(F)F)CCCC2)cc1.C=C(C)C(=O)Oc1cccc(C(C)(C)OC(C)C(C)(C)O)c1.C=C(C)C(=O)Oc1cccc(C(CC)(CC)OC(C)C(C)(C)O)c1.C=C(C)C(=O)Oc1cccc(C2(OC(C)C(C)(C)O)CCCC2)c1.

What is the InChIKey of [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate?

The InChIKey is ZIEULZREBZNPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3O4.C20H27F3O4.C20H28O4.C20H30O4.C18H23F3O4.C18H26O4/c1-13(2)17(24)26-16-9-7-15(8-10-16)19(11-5-6-12-19)27-14(3)18(4,25)20(21,22)23;1-7-19(8-2,27-14(5)18(6,25)20(21,22)23)15-9-11-16(12-10-15)26-17(24)13(3)4;1-14(2)18(21)23-17-10-8-9-16(13-17)20(11-6-7-12-20)24-15(3)19(4,5)22;1-8-20(9-2,24-15(5)19(6,7)22)16-11-10-12-17(13-16)23-18(21)14(3)4;1-11(2)15(22)24-14-9-7-13(8-10-14)16(4,5)25-12(3)17(6,23)18(19,20)21;1-12(2)16(19)21-15-10-8-9-14(11-15)18(6,7)22-13(3)17(4,5)20/h7-10,14,25H,1,5-6,11-12H2,2-4H3;9-12,14,25H,3,7-8H2,1-2,4-6H3;8-10,13,15,22H,1,6-7,11-12H2,2-5H3;10-13,15,22H,3,8-9H2,1-2,4-7H3;7-10,12,23H,1H2,2-6H3;8-11,13,20H,1H2,2-7H3.

What are the key properties of [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate?

[3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 2108.51 g/mol, XLogP of 25.73, 40 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[3-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[3-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162127244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).