bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate

C134H223F31O32 — CID 162255892

About bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate

bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate (PubChem CID 162255892) has the molecular formula C134H223F31O32 and a molecular weight of 2935.16 g/mol. Its IUPAC name is bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
• PubChem CID: 162255892
• Molecular Formula: C134H223F31O32
• Molecular Weight: 2935.16 g/mol
• Exact Mass: 2933.53
• IUPAC Name: bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(C)(O)C(F)(F)F)C(C)C.CCC(C)(C)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCCC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OCCCC(C)(C)O.CCC(C)(C)C(=O)Oc1ccc(O)c(C)c1.CCC(CC(C)(O)C(F)(F)F)OC(=O)C(C)(C)CC
• InChI: InChI=1S/C18H28F6O3.C15H27F3O3.C14H25F3O3.2C13H19F5O4.C13H23F3O3.C13H18O3.C12H21F3O3.C12H24O3.C11H19F3O3/c1-6-14(2,3)13(25)27-16(5,18(22,23)24)12-9-7-11(8-10-12)15(4,26)17(19,20)21;1-7-13(4,5)12(19)21-11(8-10(2)3)9-14(6,20)15(16,17)18;1-7-12(4,5)11(18)20-10(9(2)3)8-13(6,19)14(15,16)17;2*1-5-9(2,3)8(19)21-6-10(4)7-22-12(20,11(10,14)15)13(16,17)18;1-6-9(8-12(5,18)13(14,15)16)19-10(17)11(3,4)7-2;1-5-13(3,4)12(15)16-10-6-7-11(14)9(2)8-10;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;1-6-11(2,3)10(13)15-9-7-8-12(4,5)14;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14/h11-12,26H,6-10H2,1-5H3;10-11,20H,7-9H2,1-6H3;9-10,19H,7-8H2,1-6H3;2*20H,5-7H2,1-4H3;9,18H,6-8H2,1-5H3;6-8,14H,5H2,1-4H3;8,17H,6-7H2,1-5H3;14H,6-9H2,1-5H3;16H,5-7H2,1-4H3
• InChIKey: ZYOYJZXFWYGLHO-UHFFFAOYSA-N
• XLogP: 33.70
• TPSA: 483.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 51
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2935.16
LogP ≤ 5	33.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?

The IUPAC name of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate (CID 162255892) is bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate.

What is the SMILES notation for bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?

The canonical SMILES for bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C1CCC(C(C)(O)C(F)(F)F)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(C)(O)C(F)(F)F)C(C)C.CCC(C)(C)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCC1(C)COC(O)(C(F)(F)F)C1(F)F.CCC(C)(C)C(=O)OCCC(C)(O)C(F)(F)F.CCC(C)(C)C(=O)OCCCC(C)(C)O.CCC(C)(C)C(=O)Oc1ccc(O)c(C)c1.CCC(CC(C)(O)C(F)(F)F)OC(=O)C(C)(C)CC.

What is the InChIKey of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?

The InChIKey is ZYOYJZXFWYGLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O3.C15H27F3O3.C14H25F3O3.2C13H19F5O4.C13H23F3O3.C13H18O3.C12H21F3O3.C12H24O3.C11H19F3O3/c1-6-14(2,3)13(25)27-16(5,18(22,23)24)12-9-7-11(8-10-12)15(4,26)17(19,20)21;1-7-13(4,5)12(19)21-11(8-10(2)3)9-14(6,20)15(16,17)18;1-7-12(4,5)11(18)20-10(9(2)3)8-13(6,19)14(15,16)17;2*1-5-9(2,3)8(19)21-6-10(4)7-22-12(20,11(10,14)15)13(16,17)18;1-6-9(8-12(5,18)13(14,15)16)19-10(17)11(3,4)7-2;1-5-13(3,4)12(15)16-10-6-7-11(14)9(2)8-10;1-6-10(3,4)9(16)18-8(2)7-11(5,17)12(13,14)15;1-6-11(2,3)10(13)15-9-7-8-12(4,5)14;1-5-9(2,3)8(15)17-7-6-10(4,16)11(12,13)14/h11-12,26H,6-10H2,1-5H3;10-11,20H,7-9H2,1-6H3;9-10,19H,7-8H2,1-6H3;2*20H,5-7H2,1-4H3;9,18H,6-8H2,1-5H3;6-8,14H,5H2,1-4H3;8,17H,6-7H2,1-5H3;14H,6-9H2,1-5H3;16H,5-7H2,1-4H3.

What are the key properties of bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate?

bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate has a molecular weight of 2935.16 g/mol, XLogP of 33.70, 51 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl]methyl 2,2-dimethylbutanoate);(4-hydroxy-4-methylpentyl) 2,2-dimethylbutanoate;(4-hydroxy-3-methylphenyl) 2,2-dimethylbutanoate;(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-2,5-dimethylhexan-3-yl) 2,2-dimethylbutanoate;(4,4,4-trifluoro-3-hydroxy-3-methylbutyl) 2,2-dimethylbutanoate;(6,6,6-trifluoro-5-hydroxy-5-methylhexan-3-yl) 2,2-dimethylbutanoate;(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl) 2,2-dimethylbutanoate;[1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 162255892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).