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

C135H246O31 — CID 160968435

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

[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate (PubChem CID 160968435) has the molecular formula C135H246O31 and a molecular weight of 2365.42 g/mol. Its IUPAC name is [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate
• PubChem CID: 160968435
• Molecular Formula: C135H246O31
• Molecular Weight: 2365.42 g/mol
• Exact Mass: 2363.77
• IUPAC Name: [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCCC(=O)OC1(C(C)(C)COC)CCCCC1.CCOCC(C)(C)C1(OC(=O)C(C)(C)CC)CCCC1.CCOCC(C)(C)C1(OC(=O)C(C)(C)CC)CCCCC1.CCOCC(C)(C)C1(OC(=O)CCOC(=O)C(C)(C)CC)CCCC1.CCOCC(C)(C)C1(OC(=O)CCOC(=O)C(C)(C)CC)CCCCC1.CCOCC(C)(C)C1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCOCC(C)(C)C1(OC(=O)COC(=O)C(C)(C)CC)CCCCC1
• InChI: InChI=1S/C21H38O5.3C20H36O5.C19H34O5.C18H34O3.C17H32O3/c1-7-19(3,4)18(23)25-15-12-17(22)26-21(13-10-9-11-14-21)20(5,6)16-24-8-2;1-7-18(2,3)17(22)24-14-11-16(21)25-20(12-9-8-10-13-20)19(4,5)15-23-6;1-7-18(3,4)17(22)24-14-11-16(21)25-20(12-9-10-13-20)19(5,6)15-23-8-2;1-7-18(3,4)17(22)24-14-16(21)25-20(12-10-9-11-13-20)19(5,6)15-23-8-2;1-7-17(3,4)16(21)23-13-15(20)24-19(11-9-10-12-19)18(5,6)14-22-8-2;1-7-16(3,4)15(19)21-18(12-10-9-11-13-18)17(5,6)14-20-8-2;1-7-15(3,4)14(18)20-17(11-9-10-12-17)16(5,6)13-19-8-2/h7-16H2,1-6H3;3*7-15H2,1-6H3;7-14H2,1-6H3;7-14H2,1-6H3;7-13H2,1-6H3
• InChIKey: SXXWSYWFDYSPOB-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 380.21 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 61
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.42
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate (CID 160968435) is [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate.

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

The canonical SMILES for [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCC(=O)OC1(C(C)(C)COC)CCCCC1.CCOCC(C)(C)C1(OC(=O)C(C)(C)CC)CCCC1.CCOCC(C)(C)C1(OC(=O)C(C)(C)CC)CCCCC1.CCOCC(C)(C)C1(OC(=O)CCOC(=O)C(C)(C)CC)CCCC1.CCOCC(C)(C)C1(OC(=O)CCOC(=O)C(C)(C)CC)CCCCC1.CCOCC(C)(C)C1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCOCC(C)(C)C1(OC(=O)COC(=O)C(C)(C)CC)CCCCC1.

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

The InChIKey is SXXWSYWFDYSPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O5.3C20H36O5.C19H34O5.C18H34O3.C17H32O3/c1-7-19(3,4)18(23)25-15-12-17(22)26-21(13-10-9-11-14-21)20(5,6)16-24-8-2;1-7-18(2,3)17(22)24-14-11-16(21)25-20(12-9-8-10-13-20)19(4,5)15-23-6;1-7-18(3,4)17(22)24-14-11-16(21)25-20(12-9-10-13-20)19(5,6)15-23-8-2;1-7-18(3,4)17(22)24-14-16(21)25-20(12-10-9-11-13-20)19(5,6)15-23-8-2;1-7-17(3,4)16(21)23-13-15(20)24-19(11-9-10-12-19)18(5,6)14-22-8-2;1-7-16(3,4)15(19)21-18(12-10-9-11-13-18)17(5,6)14-20-8-2;1-7-15(3,4)14(18)20-17(11-9-10-12-17)16(5,6)13-19-8-2/h7-16H2,1-6H3;3*7-15H2,1-6H3;7-14H2,1-6H3;7-14H2,1-6H3;7-13H2,1-6H3.

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

[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate has a molecular weight of 2365.42 g/mol, XLogP of 30.45, 61 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[2-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate;[3-[1-(1-ethoxy-2-methylpropan-2-yl)cyclopentyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate;[3-[1-(1-methoxy-2-methylpropan-2-yl)cyclohexyl]oxy-3-oxopropyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 160968435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).