3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate

C188H346O24 — CID 158284325

About 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate

3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate (PubChem CID 158284325) has the molecular formula C188H346O24 and a molecular weight of 2990.81 g/mol. Its IUPAC name is 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 158284325
• Molecular Formula: C188H346O24
• Molecular Weight: 2990.81 g/mol
• Exact Mass: 2988.59
• IUPAC Name: 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)OC(=O)C(C)(C)CC.CCC(CC)(CC)OC(=O)C(C)(C)CC.CCC(CC)(CC1C2CC3CC(C2)CC1C3)OC(=O)C(C)(C)CC.CCC(CC)(CC1CCCCC1)OC(=O)C(C)(C)CC.CCCC(C)(C)OC(=O)C(C)(C)CC
• InChI: InChI=1S/C22H38O2.C21H36O2.C19H32O2.C18H34O2.C17H32O2.C16H28O2.C15H28O2.C14H26O2.C13H26O2.C12H24O2.C11H22O2.C10H20O2/c1-6-21(4,5)20(23)24-22(7-2,8-3)14-19-17-10-15-9-16(12-17)13-18(19)11-15;1-6-19(4,5)18(22)23-21(7-2,8-3)20-12-15-9-16(13-20)11-17(10-15)14-20;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-6-17(4,5)16(19)20-18(7-2,8-3)14-15-12-10-9-11-13-15;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-6-15(2,3)14(17)18-16(4,5)13-10-11-7-8-12(13)9-11;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-12(5,6)11(14)15-13(8-2,9-3)10-4;1-7-9-12(5,6)14-10(13)11(3,4)8-2;1-7-10(3,4)9(12)13-11(5,6)8-2;1-7-10(5,6)8(11)12-9(2,3)4/h15-19H,6-14H2,1-5H3;15-17H,6-14H2,1-5H3;13-15H,6-12H2,1-5H3;15H,6-14H2,1-5H3;14H,6-13H2,1-5H3;11-13H,6-10H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;7-10H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3
• InChIKey: GKPASOLMCWNMSK-UHFFFAOYSA-N
• XLogP: 53.13
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 59
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2990.81
LogP ≤ 5	53.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate (CID 158284325) is 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)OC(=O)C(C)(C)CC.CCC(CC)(CC)OC(=O)C(C)(C)CC.CCC(CC)(CC1C2CC3CC(C2)CC1C3)OC(=O)C(C)(C)CC.CCC(CC)(CC1CCCCC1)OC(=O)C(C)(C)CC.CCCC(C)(C)OC(=O)C(C)(C)CC.

What is the InChIKey of 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate?

The InChIKey is GKPASOLMCWNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2.C21H36O2.C19H32O2.C18H34O2.C17H32O2.C16H28O2.C15H28O2.C14H26O2.C13H26O2.C12H24O2.C11H22O2.C10H20O2/c1-6-21(4,5)20(23)24-22(7-2,8-3)14-19-17-10-15-9-16(12-17)13-18(19)11-15;1-6-19(4,5)18(22)23-21(7-2,8-3)20-12-15-9-16(13-20)11-17(10-15)14-20;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-6-17(4,5)16(19)20-18(7-2,8-3)14-15-12-10-9-11-13-15;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-6-15(2,3)14(17)18-16(4,5)13-10-11-7-8-12(13)9-11;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-7-12(5,6)11(14)15-13(8-2,9-3)10-4;1-7-9-12(5,6)14-10(13)11(3,4)8-2;1-7-10(3,4)9(12)13-11(5,6)8-2;1-7-10(5,6)8(11)12-9(2,3)4/h15-19H,6-14H2,1-5H3;15-17H,6-14H2,1-5H3;13-15H,6-12H2,1-5H3;15H,6-14H2,1-5H3;14H,6-13H2,1-5H3;11-13H,6-10H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3;7-10H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3.

What are the key properties of 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate?

3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate has a molecular weight of 2990.81 g/mol, XLogP of 53.13, 59 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-adamantylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate;2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;tert-butyl 2,2-dimethylbutanoate;3-(cyclohexylmethyl)pentan-3-yl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;3-ethylpentan-3-yl 2,2-dimethylbutanoate;2-methylbutan-2-yl 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 158284325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).