1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate

C138H191FO41 — CID 158421414

About 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate

1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate (PubChem CID 158421414) has the molecular formula C138H191FO41 and a molecular weight of 2525.00 g/mol. Its IUPAC name is 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate.

Molecular Properties

• Compound Name: 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate
• PubChem CID: 158421414
• Molecular Formula: C138H191FO41
• Molecular Weight: 2525.00 g/mol
• Exact Mass: 2523.28
• IUPAC Name: 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate
• SMILES: CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccc(F)cc2)CCCCC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccc(O)cc2)CCCCC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccccc2)CCC(=O)C1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccccc2)CCOC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccccc2)CCOCC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccco2)CCCCC1
• InChI: InChI=1S/C24H33FO6.C24H34O7.C23H32O7.C23H30O7.C22H32O7.C22H30O7/c2*1-4-23(2,3)22(28)30-17-16-29-20(26)12-13-21(27)31-24(14-6-5-7-15-24)18-8-10-19(25)11-9-18;1-4-22(2,3)21(26)29-17-16-28-19(24)10-11-20(25)30-23(12-14-27-15-13-23)18-8-6-5-7-9-18;1-4-22(2,3)21(27)29-15-14-28-19(25)10-11-20(26)30-23(13-12-18(24)16-23)17-8-6-5-7-9-17;1-4-21(2,3)20(25)28-16-15-27-18(23)10-11-19(24)29-22(12-6-5-7-13-22)17-9-8-14-26-17;1-4-21(2,3)20(25)28-15-14-27-18(23)10-11-19(24)29-22(12-13-26-16-22)17-8-6-5-7-9-17/h8-11H,4-7,12-17H2,1-3H3;8-11,25H,4-7,12-17H2,1-3H3;5-9H,4,10-17H2,1-3H3;5-9H,4,10-16H2,1-3H3;8-9,14H,4-7,10-13,15-16H2,1-3H3;5-9H,4,10-16H2,1-3H3
• InChIKey: HANNRBDDSMZCPQ-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 542.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 60
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.00
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

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 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate?

The IUPAC name of 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate (CID 158421414) is 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate.

What is the SMILES notation for 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate?

The canonical SMILES for 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate is CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccc(F)cc2)CCCCC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccc(O)cc2)CCCCC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccccc2)CCC(=O)C1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccccc2)CCOC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccccc2)CCOCC1.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)OC1(c2ccco2)CCCCC1.

What is the InChIKey of 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate?

The InChIKey is HANNRBDDSMZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FO6.C24H34O7.C23H32O7.C23H30O7.C22H32O7.C22H30O7/c2*1-4-23(2,3)22(28)30-17-16-29-20(26)12-13-21(27)31-24(14-6-5-7-15-24)18-8-10-19(25)11-9-18;1-4-22(2,3)21(26)29-17-16-28-19(24)10-11-20(25)30-23(12-14-27-15-13-23)18-8-6-5-7-9-18;1-4-22(2,3)21(27)29-15-14-28-19(25)10-11-20(26)30-23(13-12-18(24)16-23)17-8-6-5-7-9-17;1-4-21(2,3)20(25)28-16-15-27-18(23)10-11-19(24)29-22(12-6-5-7-13-22)17-9-8-14-26-17;1-4-21(2,3)20(25)28-15-14-27-18(23)10-11-19(24)29-22(12-13-26-16-22)17-8-6-5-7-9-17/h8-11H,4-7,12-17H2,1-3H3;8-11,25H,4-7,12-17H2,1-3H3;5-9H,4,10-17H2,1-3H3;5-9H,4,10-16H2,1-3H3;8-9,14H,4-7,10-13,15-16H2,1-3H3;5-9H,4,10-16H2,1-3H3.

What are the key properties of 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate?

1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate has a molecular weight of 2525.00 g/mol, XLogP of 23.68, 60 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-fluorophenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(furan-2-yl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-[1-(4-hydroxyphenyl)cyclohexyl] butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-oxo-1-phenylcyclopentyl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(4-phenyloxan-4-yl) butanedioate;1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(3-phenyloxolan-3-yl) butanedioate is sourced from PubChem (CID 158421414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).