[2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate

C195H338O32 — CID 158114850

About [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate

[2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate (PubChem CID 158114850) has the molecular formula C195H338O32 and a molecular weight of 3194.82 g/mol. Its IUPAC name is [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate
• PubChem CID: 158114850
• Molecular Formula: C195H338O32
• Molecular Weight: 3194.82 g/mol
• Exact Mass: 3192.48
• IUPAC Name: [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCCCC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C25H38O4.C23H36O4.3C23H38O4.2C22H36O4.C18H30O4.8C2H6/c1-6-23(2,3)22(27)28-13-21(26)29-24(4,5)25-10-18-15-7-14-8-16(18)20(12-25)17(9-14)19(15)11-25;1-6-22(2,3)21(25)26-12-18(24)27-23(4,5)17-11-15-10-16(17)20-14-8-7-13(9-14)19(15)20;1-8-20(2,3)18(24)26-21(4,5)19(25)27-22(6,7)23-12-15-9-16(13-23)11-17(10-15)14-23;1-6-21(2,3)20(25)26-9-7-8-19(24)27-22(4,5)23-13-16-10-17(14-23)12-18(11-16)15-23;1-6-21(4,5)20(25)26-15-19(24)27-23(7-2,8-3)22-12-16-9-17(13-22)11-18(10-16)14-22;1-7-20(3,4)19(24)25-14(2)18(23)26-21(5,6)22-11-15-8-16(12-22)10-17(9-15)13-22;1-6-20(3,4)19(24)25-14-18(23)26-21(5,7-2)22-11-15-8-16(12-22)10-17(9-15)13-22;1-6-17(2,3)16(20)21-11-15(19)22-18(4,5)14-10-12-7-8-13(14)9-12;8*1-2/h14-20H,6-13H2,1-5H3;13-17,19-20H,6-12H2,1-5H3;15-17H,8-14H2,1-7H3;2*16-18H,6-15H2,1-5H3;14-17H,7-13H2,1-6H3;15-17H,6-14H2,1-5H3;12-14H,6-11H2,1-5H3;8*1-2H3
• InChIKey: FQWJZCNHYHTSJE-UHFFFAOYSA-N
• XLogP: 47.17
• TPSA: 420.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 53
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3194.82
LogP ≤ 5	47.17
H-Bond Donors ≤ 5	0
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': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate?

The IUPAC name of [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate (CID 158114850) is [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate?

The canonical SMILES for [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate is CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCCCC(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate?

The InChIKey is FQWJZCNHYHTSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O4.C23H36O4.3C23H38O4.2C22H36O4.C18H30O4.8C2H6/c1-6-23(2,3)22(27)28-13-21(26)29-24(4,5)25-10-18-15-7-14-8-16(18)20(12-25)17(9-14)19(15)11-25;1-6-22(2,3)21(25)26-12-18(24)27-23(4,5)17-11-15-10-16(17)20-14-8-7-13(9-14)19(15)20;1-8-20(2,3)18(24)26-21(4,5)19(25)27-22(6,7)23-12-15-9-16(13-23)11-17(10-15)14-23;1-6-21(2,3)20(25)26-9-7-8-19(24)27-22(4,5)23-13-16-10-17(14-23)12-18(11-16)15-23;1-6-21(4,5)20(25)26-15-19(24)27-23(7-2,8-3)22-12-16-9-17(13-22)11-18(10-16)14-22;1-7-20(3,4)19(24)25-14(2)18(23)26-21(5,6)22-11-15-8-16(12-22)10-17(9-15)13-22;1-6-20(3,4)19(24)25-14-18(23)26-21(5,7-2)22-11-15-8-16(12-22)10-17(9-15)13-22;1-6-17(2,3)16(20)21-11-15(19)22-18(4,5)14-10-12-7-8-13(14)9-12;8*1-2/h14-20H,6-13H2,1-5H3;13-17,19-20H,6-12H2,1-5H3;15-17H,8-14H2,1-7H3;2*16-18H,6-15H2,1-5H3;14-17H,7-13H2,1-6H3;15-17H,6-14H2,1-5H3;12-14H,6-11H2,1-5H3;8*1-2H3.

What are the key properties of [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate?

[2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate has a molecular weight of 3194.82 g/mol, XLogP of 47.17, 53 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(1-adamantyl)butan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[3-(1-adamantyl)pentan-3-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[4-[2-(1-adamantyl)propan-2-yloxy]-4-oxobutyl] 2,2-dimethylbutanoate;[1-[2-(1-adamantyl)propan-2-yloxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[2-oxo-2-[2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-yloxy]ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158114850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).