[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate

C87H156O24 — CID 159552226

About [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate

[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate (PubChem CID 159552226) has the molecular formula C87H156O24 and a molecular weight of 1586.18 g/mol. Its IUPAC name is [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate
• PubChem CID: 159552226
• Molecular Formula: C87H156O24
• Molecular Weight: 1586.18 g/mol
• Exact Mass: 1585.10
• IUPAC Name: [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCCC1.CCC(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C.CCC(C)C(=O)OCC(=O)OC(C)(C)C1CCCCC1.CCC(C)C(=O)OCCCC(=O)OC(C)(C)C
• InChI: InChI=1S/C18H32O4.C16H28O4.C14H24O4.3C13H24O4/c1-6-17(3,4)16(20)21-13-15(19)22-18(5,7-2)14-11-9-8-10-12-14;1-5-12(2)15(18)19-11-14(17)20-16(3,4)13-9-7-6-8-10-13;1-6-13(2,3)12(16)17-9-11(15)18-14(4,5)10-7-8-10;1-8-13(6,7)11(15)16-9(2)10(14)17-12(3,4)5;1-8-9(2)10(14)16-13(6,7)11(15)17-12(3,4)5;1-6-10(2)12(15)16-9-7-8-11(14)17-13(3,4)5/h14H,6-13H2,1-5H3;12-13H,5-11H2,1-4H3;10H,6-9H2,1-5H3;2*9H,8H2,1-7H3;10H,6-9H2,1-5H3
• InChIKey: MFNPQRLKKSZCGY-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.18
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate?

The IUPAC name of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate (CID 159552226) is [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate.

What is the SMILES notation for [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate?

The canonical SMILES for [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(CC)C1CCCCC1.CCC(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C.CCC(C)C(=O)OCC(=O)OC(C)(C)C1CCCCC1.CCC(C)C(=O)OCCCC(=O)OC(C)(C)C.

What is the InChIKey of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate?

The InChIKey is MFNPQRLKKSZCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4.C16H28O4.C14H24O4.3C13H24O4/c1-6-17(3,4)16(20)21-13-15(19)22-18(5,7-2)14-11-9-8-10-12-14;1-5-12(2)15(18)19-11-14(17)20-16(3,4)13-9-7-6-8-10-13;1-6-13(2,3)12(16)17-9-11(15)18-14(4,5)10-7-8-10;1-8-13(6,7)11(15)16-9(2)10(14)17-12(3,4)5;1-8-9(2)10(14)16-13(6,7)11(15)17-12(3,4)5;1-6-10(2)12(15)16-9-7-8-11(14)17-13(3,4)5/h14H,6-13H2,1-5H3;12-13H,5-11H2,1-4H3;10H,6-9H2,1-5H3;2*9H,8H2,1-7H3;10H,6-9H2,1-5H3.

What are the key properties of [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate?

[2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate has a molecular weight of 1586.18 g/mol, XLogP of 18.52, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-cyclohexylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2-methylbutanoate;[2-(2-cyclopropylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylbutanoate;[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 2-methylbutanoate;[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 159552226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).