[2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate

C146H191FO49 — CID 158194180

About [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate

[2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate (PubChem CID 158194180) has the molecular formula C146H191FO49 and a molecular weight of 2749.08 g/mol. Its IUPAC name is [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate
• PubChem CID: 158194180
• Molecular Formula: C146H191FO49
• Molecular Weight: 2749.08 g/mol
• Exact Mass: 2747.24
• IUPAC Name: [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccc(F)cc2)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccc(O)cc2)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)CCC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)CCOC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)CCOCC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccco2)CCCCC1
• InChI: InChI=1S/C22H29FO6.C22H30O7.C21H28O7.C21H26O7.C20H24O8.C20H28O7.C20H26O7/c2*1-4-21(2,3)20(26)28-14-18(24)27-15-19(25)29-22(12-6-5-7-13-22)16-8-10-17(23)11-9-16;1-4-20(2,3)19(24)27-14-17(22)26-15-18(23)28-21(10-12-25-13-11-21)16-8-6-5-7-9-16;1-4-20(2,3)19(25)27-13-17(23)26-14-18(24)28-21(11-10-16(22)12-21)15-8-6-5-7-9-15;1-4-19(2,3)18(24)26-11-16(22)25-12-17(23)28-20(10-15(21)27-13-20)14-8-6-5-7-9-14;1-4-19(2,3)18(23)26-13-16(21)25-14-17(22)27-20(10-6-5-7-11-20)15-9-8-12-24-15;1-4-19(2,3)18(23)26-12-16(21)25-13-17(22)27-20(10-11-24-14-20)15-8-6-5-7-9-15/h8-11H,4-7,12-15H2,1-3H3;8-11,23H,4-7,12-15H2,1-3H3;5-9H,4,10-15H2,1-3H3;5-9H,4,10-14H2,1-3H3;5-9H,4,10-13H2,1-3H3;8-9,12H,4-7,10-11,13-14H2,1-3H3;5-9H,4,10-14H2,1-3H3
• InChIKey: GADFXXUCJGOAAU-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 647.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 49
• Rotatable Bonds: 56
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2749.08
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate?

The IUPAC name of [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate (CID 158194180) is [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate?

The canonical SMILES for [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccc(F)cc2)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccc(O)cc2)CCCCC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)CCC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)CCOC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)CCOCC1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccccc2)COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OCC(=O)OC1(c2ccco2)CCCCC1.

What is the InChIKey of [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate?

The InChIKey is GADFXXUCJGOAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FO6.C22H30O7.C21H28O7.C21H26O7.C20H24O8.C20H28O7.C20H26O7/c2*1-4-21(2,3)20(26)28-14-18(24)27-15-19(25)29-22(12-6-5-7-13-22)16-8-10-17(23)11-9-16;1-4-20(2,3)19(24)27-14-17(22)26-15-18(23)28-21(10-12-25-13-11-21)16-8-6-5-7-9-16;1-4-20(2,3)19(25)27-13-17(23)26-14-18(24)28-21(11-10-16(22)12-21)15-8-6-5-7-9-15;1-4-19(2,3)18(24)26-11-16(22)25-12-17(23)28-20(10-15(21)27-13-20)14-8-6-5-7-9-14;1-4-19(2,3)18(23)26-13-16(21)25-14-17(22)27-20(10-6-5-7-11-20)15-9-8-12-24-15;1-4-19(2,3)18(23)26-12-16(21)25-13-17(22)27-20(10-11-24-14-20)15-8-6-5-7-9-15/h8-11H,4-7,12-15H2,1-3H3;8-11,23H,4-7,12-15H2,1-3H3;5-9H,4,10-15H2,1-3H3;5-9H,4,10-14H2,1-3H3;5-9H,4,10-13H2,1-3H3;8-9,12H,4-7,10-11,13-14H2,1-3H3;5-9H,4,10-14H2,1-3H3.

What are the key properties of [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate?

[2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate has a molecular weight of 2749.08 g/mol, XLogP of 20.89, 56 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[1-(4-fluorophenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(furan-2-yl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-[1-(4-hydroxyphenyl)cyclohexyl]oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-oxo-1-phenylcyclopentyl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(5-oxo-3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(4-phenyloxan-4-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[2-oxo-2-(3-phenyloxolan-3-yl)oxyethoxy]ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158194180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).