1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate

C68H93F9O17 — CID 158900250

About 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate (PubChem CID 158900250) has the molecular formula C68H93F9O17 and a molecular weight of 1353.46 g/mol. Its IUPAC name is 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate
• PubChem CID: 158900250
• Molecular Formula: C68H93F9O17
• Molecular Weight: 1353.46 g/mol
• Exact Mass: 1352.63
• IUPAC Name: 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1CC(C(C)(C)O)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=Cc1ccc(OC(C)(C)C)cc1
• InChI: InChI=1S/C16H22F6O4.C14H20O3.C12H14O4.C12H16O.C10H15F3O3.C4H6O2/c1-8(2)12(23)26-11-6-9(13(3,4)24)5-10(7-11)14(25,15(17,18)19)16(20,21)22;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13;1-3(2)4(5)6/h9-11,24-25H,1,5-7H2,2-4H3;10-11,16H,1,3-8H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1H2,2-4H3;7,15H,1,5H2,2-4H3;1H2,2H3,(H,5,6)
• InChIKey: JFIPUWHGBOFTPH-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 258.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.46
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

The IUPAC name of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate (CID 158900250) is 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate.

What is the SMILES notation for 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

The canonical SMILES for 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OC1CC(C(C)(C)O)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.C=Cc1ccc(OC(C)(C)C)cc1.

What is the InChIKey of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

The InChIKey is JFIPUWHGBOFTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O4.C14H20O3.C12H14O4.C12H16O.C10H15F3O3.C4H6O2/c1-8(2)12(23)26-11-6-9(13(3,4)24)5-10(7-11)14(25,15(17,18)19)16(20,21)22;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-6(2)8(14)16-7(3)5-9(4,15)10(11,12)13;1-3(2)4(5)6/h9-11,24-25H,1,5-7H2,2-4H3;10-11,16H,1,3-8H2,2H3;6-10H,1,3-4H2,2H3;5-9H,1H2,2-4H3;7,15H,1,5H2,2-4H3;1H2,2H3,(H,5,6).

What are the key properties of 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate?

1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate has a molecular weight of 1353.46 g/mol, XLogP of 13.11, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;2-methylprop-2-enoic acid;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 158900250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).