tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate

C233H368O54 — CID 157352860

About tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate

tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate (PubChem CID 157352860) has the molecular formula C233H368O54 and a molecular weight of 4033.45 g/mol. Its IUPAC name is tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
• PubChem CID: 157352860
• Molecular Formula: C233H368O54
• Molecular Weight: 4033.45 g/mol
• Exact Mass: 4030.61
• IUPAC Name: tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC12CC3CC(CC(C3)C1C)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(=O)OC1CCOC1=O.CCC1C2CC3CC(C2)CC1(OC(=O)C(C)(C)CC)C3.CCC1C2CC3CC(C2)CC1(OC(=O)C(C)(C)CC)C3.CCC1C2CC3CC(C2)CC1(OC(=O)C(C)(C)CC)C3
• InChI: InChI=1S/C20H32O4.3C18H30O2.C17H28O2.2C16H22O6.4C16H26O3.C14H20O4.C12H18O6.2C10H16O4/c1-5-19(3,4)18(22)23-12-17(21)24-20(6-2)15-8-13-7-14(10-15)11-16(20)9-13;3*1-5-15-14-8-12-7-13(9-14)11-18(15,10-12)20-16(19)17(3,4)6-2;1-5-16(3,4)15(18)19-17-9-12-6-13(10-17)8-14(7-12)11(17)2;2*1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;4*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-4-12(2,3)11(15)17-7-9(13)18-8-5-6-16-10(8)14;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h13-16H,5-12H2,1-4H3;3*12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;2*8-10,12-13H,4-7H2,1-3H3;4*11-12,18H,4-10H2,1-3H3;7-11H,4-6H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3
• InChIKey: BHSUZAXLQLJJBZ-UHFFFAOYSA-N
• XLogP: 42.43
• TPSA: 738.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 54
• Rotatable Bonds: 57
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4033.45
LogP ≤ 5	42.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The IUPAC name of tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate (CID 157352860) is tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The canonical SMILES for tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC12CC3CC(CC(C3)C1C)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(=O)OC1CCOC1=O.CCC1C2CC3CC(C2)CC1(OC(=O)C(C)(C)CC)C3.CCC1C2CC3CC(C2)CC1(OC(=O)C(C)(C)CC)C3.CCC1C2CC3CC(C2)CC1(OC(=O)C(C)(C)CC)C3.

What is the InChIKey of tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The InChIKey is BHSUZAXLQLJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4.3C18H30O2.C17H28O2.2C16H22O6.4C16H26O3.C14H20O4.C12H18O6.2C10H16O4/c1-5-19(3,4)18(22)23-12-17(21)24-20(6-2)15-8-13-7-14(10-15)11-16(20)9-13;3*1-5-15-14-8-12-7-13(9-14)11-18(15,10-12)20-16(19)17(3,4)6-2;1-5-16(3,4)15(18)19-17-9-12-6-13(10-17)8-14(7-12)11(17)2;2*1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;4*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-4-12(2,3)11(15)17-7-9(13)18-8-5-6-16-10(8)14;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h13-16H,5-12H2,1-4H3;3*12-15H,5-11H2,1-4H3;11-14H,5-10H2,1-4H3;2*8-10,12-13H,4-7H2,1-3H3;4*11-12,18H,4-10H2,1-3H3;7-11H,4-6H2,1-3H3;8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3.

What are the key properties of tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate has a molecular weight of 4033.45 g/mol, XLogP of 42.43, 57 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for tris((2-ethyl-1-adamantyl) 2,2-dimethylbutanoate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;tetrakis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(2-methyl-1-adamantyl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate);[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 157352860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).