bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate

C150H230F18O40 — CID 158930772

About bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate

bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate (PubChem CID 158930772) has the molecular formula C150H230F18O40 and a molecular weight of 3015.41 g/mol. Its IUPAC name is bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate.

Molecular Properties

• Compound Name: bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate
• PubChem CID: 158930772
• Molecular Formula: C150H230F18O40
• Molecular Weight: 3015.41 g/mol
• Exact Mass: 3013.57
• IUPAC Name: bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate
• SMILES: CCC(C)(CC(C)(C)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(CC(C)(C)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F.CCC(C)(CC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(CC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(CC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(CC(C)(C)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O
• InChI: InChI=1S/C30H46O6.C28H48F6O6.C28H50O4.C24H30O10.C22H30F12O6.C18H26O8/c1-5-26(4,24(32)36-30-14-21-7-22(15-30)11-28(34,10-21)18-30)16-25(2,3)23(31)35-29-12-19-6-20(13-29)9-27(33,8-19)17-29;1-11-24(8,22(36)40-20(13-18(4)5)15-26(10,38)28(32,33)34)16-23(6,7)21(35)39-19(12-17(2)3)14-25(9,37)27(29,30)31;1-11-26(10,22(30)32-28(24(5,6)7)18-14-15-19-28)20-25(8,9)21(29)31-27(23(2,3)4)16-12-13-17-27;1-5-24(4,22(28)34-16-12-7-10-14(30-12)18(16)32-20(10)26)8-23(2,3)21(27)33-15-11-6-9-13(29-11)17(15)31-19(9)25;1-9-16(8,12(36)40-15(6,7)18(38,21(29,30)31)22(32,33)34)10-13(2,3)11(35)39-14(4,5)17(37,19(23,24)25)20(26,27)28;1-5-18(4,16(22)26-12-7-9-24-14(12)20)10-17(2,3)15(21)25-11-6-8-23-13(11)19/h19-22,33-34H,5-18H2,1-4H3;17-20,37-38H,11-16H2,1-10H3;11-20H2,1-10H3;9-18H,5-8H2,1-4H3;37-38H,9-10H2,1-8H3;11-12H,5-10H2,1-4H3
• InChIKey: JJAHIHWXFZHTIO-UHFFFAOYSA-N
• XLogP: 28.62
• TPSA: 560.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 52
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3015.41
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate?

The IUPAC name of bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate (CID 158930772) is bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate.

What is the SMILES notation for bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate?

The canonical SMILES for bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate is CCC(C)(CC(C)(C)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(CC(C)(C)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F)C(=O)OC(CC(C)C)CC(C)(O)C(F)(F)F.CCC(C)(CC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(CC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(CC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(CC(C)(C)C(=O)OC1CCOC1=O)C(=O)OC1CCOC1=O.

What is the InChIKey of bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate?

The InChIKey is JJAHIHWXFZHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O6.C28H48F6O6.C28H50O4.C24H30O10.C22H30F12O6.C18H26O8/c1-5-26(4,24(32)36-30-14-21-7-22(15-30)11-28(34,10-21)18-30)16-25(2,3)23(31)35-29-12-19-6-20(13-29)9-27(33,8-19)17-29;1-11-24(8,22(36)40-20(13-18(4)5)15-26(10,38)28(32,33)34)16-23(6,7)21(35)39-19(12-17(2)3)14-25(9,37)27(29,30)31;1-11-26(10,22(30)32-28(24(5,6)7)18-14-15-19-28)20-25(8,9)21(29)31-27(23(2,3)4)16-12-13-17-27;1-5-24(4,22(28)34-16-12-7-10-14(30-12)18(16)32-20(10)26)8-23(2,3)21(27)33-15-11-6-9-13(29-11)17(15)31-19(9)25;1-9-16(8,12(36)40-15(6,7)18(38,21(29,30)31)22(32,33)34)10-13(2,3)11(35)39-14(4,5)17(37,19(23,24)25)20(26,27)28;1-5-18(4,16(22)26-12-7-9-24-14(12)20)10-17(2,3)15(21)25-11-6-8-23-13(11)19/h19-22,33-34H,5-18H2,1-4H3;17-20,37-38H,11-16H2,1-10H3;11-20H2,1-10H3;9-18H,5-8H2,1-4H3;37-38H,9-10H2,1-8H3;11-12H,5-10H2,1-4H3.

What are the key properties of bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate?

bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate has a molecular weight of 3015.41 g/mol, XLogP of 28.62, 52 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-tert-butylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(3-hydroxy-1-adamantyl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(2-oxooxolan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis(1,1,1-trifluoro-2-hydroxy-2,6-dimethylheptan-4-yl) 2-ethyl-2,4,4-trimethylpentanedioate;bis[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate is sourced from PubChem (CID 158930772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).