[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate

C171H310O32 — CID 157126313

About [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate

[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate (PubChem CID 157126313) has the molecular formula C171H310O32 and a molecular weight of 2878.33 g/mol. Its IUPAC name is [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate.

Molecular Properties

• Compound Name: [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate
• PubChem CID: 157126313
• Molecular Formula: C171H310O32
• Molecular Weight: 2878.33 g/mol
• Exact Mass: 2876.26
• IUPAC Name: [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)CCCCC1)(C3)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)OCCCC(=O)OC(C)(C)C1CCCCC1
• InChI: InChI=1S/C28H42O4.C24H38O4.2C19H34O4.C18H32O4.C17H30O4.C16H28O4.C14H24O4.8C2H6/c1-5-25(2,3)23(29)32-28-14-19-7-20(15-28)13-27(12-19,16-28)24(30)31-26(4)21-8-17-6-18(10-21)11-22(26)9-17;1-5-21(2,3)19(25)28-24-14-17-11-18(15-24)13-23(12-17,16-24)20(26)27-22(4)9-7-6-8-10-22;1-6-18(2,3)17(21)22-14-10-13-16(20)23-19(4,5)15-11-8-7-9-12-15;1-6-18(4,5)17(21)22-14-16(20)23-19(7-2,8-3)15-12-10-9-11-13-15;1-6-17(3,4)16(20)21-13-15(19)22-18(5,7-2)14-11-9-8-10-12-14;1-6-16(2,3)15(19)20-12-14(18)21-17(4,5)13-10-8-7-9-11-13;1-6-15(2,3)14(18)19-11-13(17)20-16(4,5)12-9-7-8-10-12;1-6-13(2,3)12(16)17-9-11(15)18-14(4,5)10-7-8-10;8*1-2/h17-22H,5-16H2,1-4H3;17-18H,5-16H2,1-4H3;2*15H,6-14H2,1-5H3;14H,6-13H2,1-5H3;13H,6-12H2,1-5H3;12H,6-11H2,1-5H3;10H,6-9H2,1-5H3;8*1-2H3
• InChIKey: AINUJAFXQOCNLF-UHFFFAOYSA-N
• XLogP: 43.44
• TPSA: 420.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 51
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2878.33
LogP ≤ 5	43.44
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'}

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate?

The IUPAC name of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate (CID 157126313) is [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate.

What is the SMILES notation for [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate?

The canonical SMILES for [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate is CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)CCCCC1)(C3)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)OCCCC(=O)OC(C)(C)C1CCCCC1.

What is the InChIKey of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate?

The InChIKey is AINUJAFXQOCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O4.C24H38O4.2C19H34O4.C18H32O4.C17H30O4.C16H28O4.C14H24O4.8C2H6/c1-5-25(2,3)23(29)32-28-14-19-7-20(15-28)13-27(12-19,16-28)24(30)31-26(4)21-8-17-6-18(10-21)11-22(26)9-17;1-5-21(2,3)19(25)28-24-14-17-11-18(15-24)13-23(12-17,16-24)20(26)27-22(4)9-7-6-8-10-22;1-6-18(2,3)17(21)22-14-10-13-16(20)23-19(4,5)15-11-8-7-9-12-15;1-6-18(4,5)17(21)22-14-16(20)23-19(7-2,8-3)15-12-10-9-11-13-15;1-6-17(3,4)16(20)21-13-15(19)22-18(5,7-2)14-11-9-8-10-12-14;1-6-16(2,3)15(19)20-12-14(18)21-17(4,5)13-10-8-7-9-11-13;1-6-15(2,3)14(18)19-11-13(17)20-16(4,5)12-9-7-8-10-12;1-6-13(2,3)12(16)17-9-11(15)18-14(4,5)10-7-8-10;8*1-2/h17-22H,5-16H2,1-4H3;17-18H,5-16H2,1-4H3;2*15H,6-14H2,1-5H3;14H,6-13H2,1-5H3;13H,6-12H2,1-5H3;12H,6-11H2,1-5H3;10H,6-9H2,1-5H3;8*1-2H3.

What are the key properties of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate?

[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate has a molecular weight of 2878.33 g/mol, XLogP of 43.44, 51 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[4-(2-cyclohexylpropan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-methylcyclohexyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate is sourced from PubChem (CID 157126313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).