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

C128H165F9O24 — CID 158487031

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

[1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 158487031) has the molecular formula C128H165F9O24 and a molecular weight of 2258.69 g/mol. Its IUPAC name is [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 158487031
• Molecular Formula: C128H165F9O24
• Molecular Weight: 2258.69 g/mol
• Exact Mass: 2257.15
• IUPAC Name: [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[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)Oc1ccc2ccccc2c1C(C)(C)OC(C)C(C)(C)O.C=C(C)C(=O)Oc1ccc2ccccc2c1C(CC)(CC)OC(C)C(C)(C)O.C=C(C)C(=O)Oc1ccc2ccccc2c1C1(OC(C)C(C)(C)O)CCCC1.C=C(C)C(=O)Oc1ccccc1C(C)(C)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C(CC)(CC)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C1(OC(C)C(C)(O)C(F)(F)F)CCCC1
• InChI: InChI=1S/C24H30O4.C24H32O4.C22H28O4.C20H25F3O4.C20H27F3O4.C18H23F3O4/c1-16(2)22(25)27-20-13-12-18-10-6-7-11-19(18)21(20)24(14-8-9-15-24)28-17(3)23(4,5)26;1-8-24(9-2,28-17(5)23(6,7)26)21-19-13-11-10-12-18(19)14-15-20(21)27-22(25)16(3)4;1-14(2)20(23)25-18-13-12-16-10-8-9-11-17(16)19(18)22(6,7)26-15(3)21(4,5)24;1-13(2)17(24)26-16-10-6-5-9-15(16)19(11-7-8-12-19)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)15-11-9-10-12-16(15)26-17(24)13(3)4;1-11(2)15(22)24-14-10-8-7-9-13(14)16(4,5)25-12(3)17(6,23)18(19,20)21/h6-7,10-13,17,26H,1,8-9,14-15H2,2-5H3;10-15,17,26H,3,8-9H2,1-2,4-7H3;8-13,15,24H,1H2,2-7H3;5-6,9-10,14,25H,1,7-8,11-12H2,2-4H3;9-12,14,25H,3,7-8H2,1-2,4-6H3;7-10,12,23H,1H2,2-6H3
• InChIKey: HIFMOJKXCKMGJO-UHFFFAOYSA-N
• XLogP: 29.19
• TPSA: 334.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2258.69
LogP ≤ 5	29.19
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 [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate (CID 158487031) is [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[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 [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[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)Oc1ccc2ccccc2c1C(C)(C)OC(C)C(C)(C)O.C=C(C)C(=O)Oc1ccc2ccccc2c1C(CC)(CC)OC(C)C(C)(C)O.C=C(C)C(=O)Oc1ccc2ccccc2c1C1(OC(C)C(C)(C)O)CCCC1.C=C(C)C(=O)Oc1ccccc1C(C)(C)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C(CC)(CC)OC(C)C(C)(O)C(F)(F)F.C=C(C)C(=O)Oc1ccccc1C1(OC(C)C(C)(O)C(F)(F)F)CCCC1.

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

The InChIKey is HIFMOJKXCKMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4.C24H32O4.C22H28O4.C20H25F3O4.C20H27F3O4.C18H23F3O4/c1-16(2)22(25)27-20-13-12-18-10-6-7-11-19(18)21(20)24(14-8-9-15-24)28-17(3)23(4,5)26;1-8-24(9-2,28-17(5)23(6,7)26)21-19-13-11-10-12-18(19)14-15-20(21)27-22(25)16(3)4;1-14(2)20(23)25-18-13-12-16-10-8-9-11-17(16)19(18)22(6,7)26-15(3)21(4,5)24;1-13(2)17(24)26-16-10-6-5-9-15(16)19(11-7-8-12-19)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)15-11-9-10-12-16(15)26-17(24)13(3)4;1-11(2)15(22)24-14-10-8-7-9-13(14)16(4,5)25-12(3)17(6,23)18(19,20)21/h6-7,10-13,17,26H,1,8-9,14-15H2,2-5H3;10-15,17,26H,3,8-9H2,1-2,4-7H3;8-13,15,24H,1H2,2-7H3;5-6,9-10,14,25H,1,7-8,11-12H2,2-4H3;9-12,14,25H,3,7-8H2,1-2,4-6H3;7-10,12,23H,1H2,2-6H3.

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

[1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 2258.69 g/mol, XLogP of 29.19, 40 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-(3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[3-(3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[1-[2-(3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]naphthalen-2-yl] 2-methylprop-2-enoate;[2-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]phenyl] 2-methylprop-2-enoate;[2-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]phenyl] 2-methylprop-2-enoate;[2-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158487031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).