[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate

C109H198O26 — CID 159379265

About [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate

[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate (PubChem CID 159379265) has the molecular formula C109H198O26 and a molecular weight of 1924.76 g/mol. Its IUPAC name is [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate
• PubChem CID: 159379265
• Molecular Formula: C109H198O26
• Molecular Weight: 1924.76 g/mol
• Exact Mass: 1923.42
• IUPAC Name: [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C(C)(C)COC)CCCCC1.CCC(C)(C)C(=O)OCCC(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OCCC(=O)OC1(C(C)(C)COC)CCCCC1
• InChI: InChI=1S/C20H36O5.2C19H34O5.C18H32O5.C17H32O3.C16H30O3/c1-7-18(2,3)17(22)24-14-11-16(21)25-20(12-9-8-10-13-20)19(4,5)15-23-6;1-7-17(2,3)16(21)23-13-10-15(20)24-19(11-8-9-12-19)18(4,5)14-22-6;1-7-17(2,3)16(21)23-13-15(20)24-19(11-9-8-10-12-19)18(4,5)14-22-6;1-7-16(2,3)15(20)22-12-14(19)23-18(10-8-9-11-18)17(4,5)13-21-6;1-7-15(2,3)14(18)20-17(11-9-8-10-12-17)16(4,5)13-19-6;1-7-14(2,3)13(17)19-16(10-8-9-11-16)15(4,5)12-18-6/h7-15H2,1-6H3;2*7-14H2,1-6H3;7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3
• InChIKey: LKRUAYQAEZOSSA-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 318.38 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 46
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.76
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate?

The IUPAC name of [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate (CID 159379265) is [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate?

The canonical SMILES for [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C(C)(C)COC)CCCCC1.CCC(C)(C)C(=O)OCCC(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OCCC(=O)OC1(C(C)(C)COC)CCCCC1.

What is the InChIKey of [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate?

The InChIKey is LKRUAYQAEZOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O5.2C19H34O5.C18H32O5.C17H32O3.C16H30O3/c1-7-18(2,3)17(22)24-14-11-16(21)25-20(12-9-8-10-13-20)19(4,5)15-23-6;1-7-17(2,3)16(21)23-13-10-15(20)24-19(11-8-9-12-19)18(4,5)14-22-6;1-7-17(2,3)16(21)23-13-15(20)24-19(11-9-8-10-12-19)18(4,5)14-22-6;1-7-16(2,3)15(20)22-12-14(19)23-18(10-8-9-11-18)17(4,5)13-21-6;1-7-15(2,3)14(18)20-17(11-9-8-10-12-17)16(4,5)13-19-6;1-7-14(2,3)13(17)19-16(10-8-9-11-16)15(4,5)12-18-6/h7-15H2,1-6H3;2*7-14H2,1-6H3;7-13H2,1-6H3;7-13H2,1-6H3;7-12H2,1-6H3.

What are the key properties of [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate?

[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate has a molecular weight of 1924.76 g/mol, XLogP of 23.83, 46 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 159379265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).