3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

C167H256O37 — CID 157408174

About 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (PubChem CID 157408174) has the molecular formula C167H256O37 and a molecular weight of 2855.85 g/mol. Its IUPAC name is 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• PubChem CID: 157408174
• Molecular Formula: C167H256O37
• Molecular Weight: 2855.85 g/mol
• Exact Mass: 2853.82
• IUPAC Name: 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• SMILES: CC1C(=O)OC(=O)C1C.CC1C2CC(C1C)C1(CCOC1=O)C2.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC
• InChI: InChI=1S/2C20H32O2.2C18H30O2.2C16H22O6.C15H26O2.2C13H18O5.C12H18O2.C6H8O3/c2*1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;2*1-5-17(3,4)16(19)20-18(6-2)14-8-12-7-13(10-14)11-15(18)9-12;2*1-5-16(2,3)15(19)22-12-7-6-8-10(9(7)13(17)20-4)14(18)21-11(8)12;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-7-8(2)10-5-9(7)6-12(10)3-4-14-11(12)13;1-3-4(2)6(8)9-5(3)7/h2*12-17H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3;2*7-12H,5-6H2,1-4H3;11-12H,5-10H2,1-4H3;2*6-10H,4-5H2,1-3H3;7-10H,3-6H2,1-2H3;3-4H,1-2H3
• InChIKey: BNYUFKWJAYKRQU-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 482.63 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2855.85
LogP ≤ 5	30.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The IUPAC name of 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (CID 157408174) is 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

What is the SMILES notation for 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is CC1C(=O)OC(=O)C1C.CC1C2CC(C1C)C1(CCOC1=O)C2.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(CC)CC2CCC1C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.

What is the InChIKey of 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The InChIKey is BNYUFKWJAYKRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32O2.2C18H30O2.2C16H22O6.C15H26O2.2C13H18O5.C12H18O2.C6H8O3/c2*1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;2*1-5-17(3,4)16(19)20-18(6-2)14-8-12-7-13(10-14)11-15(18)9-12;2*1-5-16(2,3)15(19)22-12-7-6-8-10(9(7)13(17)20-4)14(18)21-11(8)12;1-5-14(3,4)13(16)17-15(6-2)10-11-7-8-12(15)9-11;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-7-8(2)10-5-9(7)6-12(10)3-4-14-11(12)13;1-3-4(2)6(8)9-5(3)7/h2*12-17H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3;2*7-12H,5-6H2,1-4H3;11-12H,5-10H2,1-4H3;2*6-10H,4-5H2,1-3H3;7-10H,3-6H2,1-2H3;3-4H,1-2H3.

What are the key properties of 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) has a molecular weight of 2855.85 g/mol, XLogP of 30.01, 34 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyloxolane-2,5-dione;5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one;bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;bis((4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate);bis(methyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 157408174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).