bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate

C90H138F30O20 — CID 159019051

About bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate

bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate (PubChem CID 159019051) has the molecular formula C90H138F30O20 and a molecular weight of 2110.01 g/mol. Its IUPAC name is bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate
• PubChem CID: 159019051
• Molecular Formula: C90H138F30O20
• Molecular Weight: 2110.01 g/mol
• Exact Mass: 2108.93
• IUPAC Name: bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C1CC(C(C)(C)OCC(C)(C)O)CC(C(C)(C)OCC(C)(O)C(F)(F)F)C1)C1CC(C(C)(C)OCC(C)(O)C(F)(F)F)CC(C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F)C1.C=C(C)C(=O)OC(C1CCC(C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F)C(C(C)(C)OCC(C)(O)C(F)(F)F)C1)C1CCC(C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F)C(C(C)(C)OCC(C)(O)C(F)(F)F)C1
• InChI: InChI=1S/C45H66F18O10.C45H72F12O10/c1-23(2)31(64)73-30(24-13-15-26(28(17-24)34(7,8)69-19-36(11,65)40(46,47)48)32(3,4)71-21-38(67,42(52,53)54)43(55,56)57)25-14-16-27(29(18-25)35(9,10)70-20-37(12,66)41(49,50)51)33(5,6)72-22-39(68,44(58,59)60)45(61,62)63;1-25(2)33(58)67-32(26-15-28(35(5,6)63-21-34(3,4)59)19-29(16-26)36(7,8)64-22-39(13,60)42(46,47)48)27-17-30(37(9,10)65-23-40(14,61)43(49,50)51)20-31(18-27)38(11,12)66-24-41(62,44(52,53)54)45(55,56)57/h24-30,65-68H,1,13-22H2,2-12H3;26-32,59-62H,1,15-24H2,2-14H3
• InChIKey: JTLNOKCRWHANOG-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 288.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.01
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate?

The IUPAC name of bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate (CID 159019051) is bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate.

What is the SMILES notation for bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate?

The canonical SMILES for bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C1CC(C(C)(C)OCC(C)(C)O)CC(C(C)(C)OCC(C)(O)C(F)(F)F)C1)C1CC(C(C)(C)OCC(C)(O)C(F)(F)F)CC(C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F)C1.C=C(C)C(=O)OC(C1CCC(C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F)C(C(C)(C)OCC(C)(O)C(F)(F)F)C1)C1CCC(C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F)C(C(C)(C)OCC(C)(O)C(F)(F)F)C1.

What is the InChIKey of bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate?

The InChIKey is JTLNOKCRWHANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H66F18O10.C45H72F12O10/c1-23(2)31(64)73-30(24-13-15-26(28(17-24)34(7,8)69-19-36(11,65)40(46,47)48)32(3,4)71-21-38(67,42(52,53)54)43(55,56)57)25-14-16-27(29(18-25)35(9,10)70-20-37(12,66)41(49,50)51)33(5,6)72-22-39(68,44(58,59)60)45(61,62)63;1-25(2)33(58)67-32(26-15-28(35(5,6)63-21-34(3,4)59)19-29(16-26)36(7,8)64-22-39(13,60)42(46,47)48)27-17-30(37(9,10)65-23-40(14,61)43(49,50)51)20-31(18-27)38(11,12)66-24-41(62,44(52,53)54)45(55,56)57/h24-30,65-68H,1,13-22H2,2-12H3;26-32,59-62H,1,15-24H2,2-14H3.

What are the key properties of bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate?

bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate has a molecular weight of 2110.01 g/mol, XLogP of 21.03, 40 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-4-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl 2-methylprop-2-enoate;[[3-[2-(2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexyl]-[3-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]-5-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]propan-2-yl]cyclohexyl]methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 159019051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).