[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate

C123H199F21O24 — CID 159297660

About [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate

[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate (PubChem CID 159297660) has the molecular formula C123H199F21O24 and a molecular weight of 2460.88 g/mol. Its IUPAC name is [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate
• PubChem CID: 159297660
• Molecular Formula: C123H199F21O24
• Molecular Weight: 2460.88 g/mol
• Exact Mass: 2459.40
• IUPAC Name: [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1CCCC(C(C)(C)OC(C)C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCC(C(C)(C)OC(C)C(C)(O)C(F)(F)F)CCC1.C=C(C)C(=O)OC1CCCC(C(C)(CC)OC(C)C(C)(O)C(F)(F)F)CCC1.C=C(C)C(=O)OC1CCCC(C(CC)(CC)OC(C)C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCC(C2(OC(C)C(C)(O)C(F)(F)F)CCCC2)CC1.C=C(C)C(=O)OC1CCCCCC(C(C)(C)OC(C)C(O)(C(F)(F)F)C(F)(F)F)CC1
• InChI: InChI=1S/C21H32F6O4.C21H33F3O4.2C21H35F3O4.C20H33F3O4.C19H31F3O4/c1-13(2)17(28)30-16-10-8-6-7-9-15(11-12-16)18(4,5)31-14(3)19(29,20(22,23)24)21(25,26)27;1-14(2)18(25)27-17-9-7-8-16(10-11-17)20(12-5-6-13-20)28-15(3)19(4,26)21(22,23)24;1-7-19(5,28-15(4)20(6,26)21(22,23)24)16-10-8-12-17(13-9-11-16)27-18(25)14(2)3;1-7-20(8-2,28-15(5)19(6,26)21(22,23)24)16-10-9-11-17(13-12-16)27-18(25)14(3)4;1-13(2)17(24)26-16-11-7-9-15(10-8-12-16)18(4,5)27-14(3)19(6,25)20(21,22)23;1-12(2)16(23)25-15-9-7-8-14(10-11-15)17(4,5)26-13(3)18(6,24)19(20,21)22/h14-16,29H,1,6-12H2,2-5H3;15-17,26H,1,5-13H2,2-4H3;15-17,26H,2,7-13H2,1,3-6H3;15-17,26H,3,7-13H2,1-2,4-6H3;14-16,25H,1,7-12H2,2-6H3;13-15,24H,1,7-11H2,2-6H3
• InChIKey: LAXVCZBOWHRBGO-UHFFFAOYSA-N
• XLogP: 31.12
• TPSA: 334.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.88
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

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 [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate?

The IUPAC name of [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate (CID 159297660) is [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate.

What is the SMILES notation for [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate?

The canonical SMILES for [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(C(C)(C)OC(C)C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCC(C(C)(C)OC(C)C(C)(O)C(F)(F)F)CCC1.C=C(C)C(=O)OC1CCCC(C(C)(CC)OC(C)C(C)(O)C(F)(F)F)CCC1.C=C(C)C(=O)OC1CCCC(C(CC)(CC)OC(C)C(C)(O)C(F)(F)F)CC1.C=C(C)C(=O)OC1CCCC(C2(OC(C)C(C)(O)C(F)(F)F)CCCC2)CC1.C=C(C)C(=O)OC1CCCCCC(C(C)(C)OC(C)C(O)(C(F)(F)F)C(F)(F)F)CC1.

What is the InChIKey of [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate?

The InChIKey is LAXVCZBOWHRBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F6O4.C21H33F3O4.2C21H35F3O4.C20H33F3O4.C19H31F3O4/c1-13(2)17(28)30-16-10-8-6-7-9-15(11-12-16)18(4,5)31-14(3)19(29,20(22,23)24)21(25,26)27;1-14(2)18(25)27-17-9-7-8-16(10-11-17)20(12-5-6-13-20)28-15(3)19(4,26)21(22,23)24;1-7-19(5,28-15(4)20(6,26)21(22,23)24)16-10-8-12-17(13-9-11-16)27-18(25)14(2)3;1-7-20(8-2,28-15(5)19(6,26)21(22,23)24)16-10-9-11-17(13-12-16)27-18(25)14(3)4;1-13(2)17(24)26-16-11-7-9-15(10-8-12-16)18(4,5)27-14(3)19(6,25)20(21,22)23;1-12(2)16(23)25-15-9-7-8-14(10-11-15)17(4,5)26-13(3)18(6,24)19(20,21)22/h14-16,29H,1,6-12H2,2-5H3;15-17,26H,1,5-13H2,2-4H3;15-17,26H,2,7-13H2,1,3-6H3;15-17,26H,3,7-13H2,1-2,4-6H3;14-16,25H,1,7-12H2,2-6H3;13-15,24H,1,7-11H2,2-6H3.

What are the key properties of [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate?

[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate has a molecular weight of 2460.88 g/mol, XLogP of 31.12, 39 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxybutan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[1-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxycyclopentyl]cycloheptyl] 2-methylprop-2-enoate;[4-[3-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypentan-3-yl]cycloheptyl] 2-methylprop-2-enoate;[4-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cycloheptyl] 2-methylprop-2-enoate;[5-[2-(4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)oxypropan-2-yl]cyclooctyl] 2-methylprop-2-enoate;[4-[2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxypropan-2-yl]cyclononyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159297660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).