2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate

C124H133F33O23 — CID 158403572

About 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate

2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 158403572) has the molecular formula C124H133F33O23 and a molecular weight of 2618.34 g/mol. Its IUPAC name is 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate
• PubChem CID: 158403572
• Molecular Formula: C124H133F33O23
• Molecular Weight: 2618.34 g/mol
• Exact Mass: 2616.87
• IUPAC Name: 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(C(F)(F)F)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(O)C(C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OCc1ccc2ccccc2c1.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(C)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)c(C(C)(O)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)cc1.C=Cc1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.C=Cc1ccc(C(C)(O)C(F)(F)F)cc1.C=Cc1ccc2cc(C)ccc2c1.CO
• InChI: InChI=1S/C17H21F9O3.C17H15F9O3.C15H14O2.C14H14F6O2.C13H19F3O4.C13H13F3O4.C13H12.C11H11F3O.C10H10O3.CH4O/c2*1-8(2)12(27)29-11-6-9(13(3,15(18,19)20)16(21,22)23)5-10(7-11)14(4,28)17(24,25)26;1-11(2)15(16)17-10-12-7-8-13-5-3-4-6-14(13)9-12;1-4-8-5-9(11(2,21)13(15,16)17)7-10(6-8)12(3,22)14(18,19)20;2*1-7(2)11(18)20-8-4-5-10(17)9(6-8)12(3,19)13(14,15)16;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-3-8-4-6-9(7-5-8)10(2,15)11(12,13)14;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2/h9-11,28H,1,5-7H2,2-4H3;5-7,28H,1H2,2-4H3;3-9H,1,10H2,2H3;4-7,21-22H,1H2,2-3H3;8-10,17,19H,1,4-6H2,2-3H3;4-6,17,19H,1H2,2-3H3;3-9H,1H2,2H3;3-7,15H,1H2,2H3;3-6,11H,1H2,2H3;2H,1H3
• InChIKey: GYKBWRQGOKQVBW-UHFFFAOYSA-N
• XLogP: 30.95
• TPSA: 380.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2618.34
LogP ≤ 5	30.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate?

The IUPAC name of 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate (CID 158403572) is 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(C(F)(F)F)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(O)C(C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OCc1ccc2ccccc2c1.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(C)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)c(C(C)(O)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)cc1.C=Cc1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.C=Cc1ccc(C(C)(O)C(F)(F)F)cc1.C=Cc1ccc2cc(C)ccc2c1.CO.

What is the InChIKey of 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate?

The InChIKey is GYKBWRQGOKQVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F9O3.C17H15F9O3.C15H14O2.C14H14F6O2.C13H19F3O4.C13H13F3O4.C13H12.C11H11F3O.C10H10O3.CH4O/c2*1-8(2)12(27)29-11-6-9(13(3,15(18,19)20)16(21,22)23)5-10(7-11)14(4,28)17(24,25)26;1-11(2)15(16)17-10-12-7-8-13-5-3-4-6-14(13)9-12;1-4-8-5-9(11(2,21)13(15,16)17)7-10(6-8)12(3,22)14(18,19)20;2*1-7(2)11(18)20-8-4-5-10(17)9(6-8)12(3,19)13(14,15)16;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-3-8-4-6-9(7-5-8)10(2,15)11(12,13)14;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2/h9-11,28H,1,5-7H2,2-4H3;5-7,28H,1H2,2-4H3;3-9H,1,10H2,2H3;4-7,21-22H,1H2,2-3H3;8-10,17,19H,1,4-6H2,2-3H3;4-6,17,19H,1H2,2-3H3;3-9H,1H2,2H3;3-7,15H,1H2,2H3;3-6,11H,1H2,2H3;2H,1H3.

What are the key properties of 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate?

2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 2618.34 g/mol, XLogP of 30.95, 25 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;methanol;naphthalen-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158403572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).