[2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate

C137H222O28 — CID 158611626

About [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate

[2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate (PubChem CID 158611626) has the molecular formula C137H222O28 and a molecular weight of 2317.25 g/mol. Its IUPAC name is [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate
• PubChem CID: 158611626
• Molecular Formula: C137H222O28
• Molecular Weight: 2317.25 g/mol
• Exact Mass: 2315.59
• IUPAC Name: [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(COC(=O)C23CC4CC(CC(C4)C2)C3)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(COC(=O)C23CC4CC(CC(C4)C2)C3)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/C28H42O4.C24H38O4.C21H34O4.C20H32O4.2C15H26O4.C14H24O4/c1-4-26(2,3)24(29)32-28(22-9-17-5-18(11-22)12-23(28)10-17)16-31-25(30)27-13-19-6-20(14-27)8-21(7-19)15-27;1-4-22(2,3)20(25)28-24(8-6-5-7-9-24)16-27-21(26)23-13-17-10-18(14-23)12-19(11-17)15-23;1-6-20(4,5)19(23)24-12-18(22)25-21(13(2)3)16-8-14-7-15(10-16)11-17(21)9-14;1-5-19(3,4)18(22)23-12-17(21)24-20(6-2)15-8-13-7-14(10-15)11-16(20)9-13;1-5-14(2,3)13(17)18-11-12(16)19-15(4)9-7-6-8-10-15;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-5-13(2,3)12(16)17-10-11(15)18-14(4)8-6-7-9-14/h17-23H,4-16H2,1-3H3;17-19H,4-16H2,1-3H3;13-17H,6-12H2,1-5H3;13-16H,5-12H2,1-4H3;2*5-11H2,1-4H3;5-10H2,1-4H3
• InChIKey: HWXDTGNKCFSCQX-UHFFFAOYSA-N
• XLogP: 29.13
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.25
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate?

The IUPAC name of [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate (CID 158611626) is [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate?

The canonical SMILES for [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(COC(=O)C23CC4CC(CC(C4)C2)C3)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(COC(=O)C23CC4CC(CC(C4)C2)C3)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate?

The InChIKey is HWXDTGNKCFSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O4.C24H38O4.C21H34O4.C20H32O4.2C15H26O4.C14H24O4/c1-4-26(2,3)24(29)32-28(22-9-17-5-18(11-22)12-23(28)10-17)16-31-25(30)27-13-19-6-20(14-27)8-21(7-19)15-27;1-4-22(2,3)20(25)28-24(8-6-5-7-9-24)16-27-21(26)23-13-17-10-18(14-23)12-19(11-17)15-23;1-6-20(4,5)19(23)24-12-18(22)25-21(13(2)3)16-8-14-7-15(10-16)11-17(21)9-14;1-5-19(3,4)18(22)23-12-17(21)24-20(6-2)15-8-13-7-14(10-15)11-16(20)9-13;1-5-14(2,3)13(17)18-11-12(16)19-15(4)9-7-6-8-10-15;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-5-13(2,3)12(16)17-10-11(15)18-14(4)8-6-7-9-14/h17-23H,4-16H2,1-3H3;17-19H,4-16H2,1-3H3;13-17H,6-12H2,1-5H3;13-16H,5-12H2,1-4H3;2*5-11H2,1-4H3;5-10H2,1-4H3.

What are the key properties of [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate?

[2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate has a molecular weight of 2317.25 g/mol, XLogP of 29.13, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,2-dimethylbutanoyloxy)-2-adamantyl]methyl adamantane-1-carboxylate;[1-(2,2-dimethylbutanoyloxy)cyclohexyl]methyl adamantane-1-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158611626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).