(3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate

C75H128O23 — CID 158651413

About (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate

(3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate (PubChem CID 158651413) has the molecular formula C75H128O23 and a molecular weight of 1397.83 g/mol. Its IUPAC name is (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
• PubChem CID: 158651413
• Molecular Formula: C75H128O23
• Molecular Weight: 1397.83 g/mol
• Exact Mass: 1396.88
• IUPAC Name: (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(=O)OC1(C(C)C)CCOC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCOC1.CCC(C)(C)C(=O)OCC(=O)OC1(C2CCCCC2)CCOC1.CCC(C)C(=O)OC1(C2CCCCC2)CCOC1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCOC1
• InChI: InChI=1S/C18H30O5.C15H26O5.C15H26O3.C14H24O5.C13H22O5/c1-4-17(2,3)16(20)22-12-15(19)23-18(10-11-21-13-18)14-8-6-5-7-9-14;1-6-14(4,5)13(17)19-9-12(16)20-15(11(2)3)7-8-18-10-15;1-3-12(2)14(16)18-15(9-10-17-11-15)13-7-5-4-6-8-13;1-5-13(3,4)12(16)18-9-11(15)19-14(6-2)7-8-17-10-14;1-5-12(2,3)11(15)17-8-10(14)18-13(4)6-7-16-9-13/h14H,4-13H2,1-3H3;11H,6-10H2,1-5H3;12-13H,3-11H2,1-2H3;5-10H2,1-4H3;5-9H2,1-4H3
• InChIKey: IBPIGZJCNGHKKO-UHFFFAOYSA-N
• XLogP: 12.65
• TPSA: 282.85 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.83
LogP ≤ 5	12.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The IUPAC name of (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate (CID 158651413) is (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The canonical SMILES for (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1(C(C)C)CCOC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCOC1.CCC(C)(C)C(=O)OCC(=O)OC1(C2CCCCC2)CCOC1.CCC(C)C(=O)OC1(C2CCCCC2)CCOC1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCOC1.

What is the InChIKey of (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The InChIKey is IBPIGZJCNGHKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5.C15H26O5.C15H26O3.C14H24O5.C13H22O5/c1-4-17(2,3)16(20)22-12-15(19)23-18(10-11-21-13-18)14-8-6-5-7-9-14;1-6-14(4,5)13(17)19-9-12(16)20-15(11(2)3)7-8-18-10-15;1-3-12(2)14(16)18-15(9-10-17-11-15)13-7-5-4-6-8-13;1-5-13(3,4)12(16)18-9-11(15)19-14(6-2)7-8-17-10-14;1-5-12(2,3)11(15)17-8-10(14)18-13(4)6-7-16-9-13/h14H,4-13H2,1-3H3;11H,6-10H2,1-5H3;12-13H,3-11H2,1-2H3;5-10H2,1-4H3;5-9H2,1-4H3.

What are the key properties of (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

(3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate has a molecular weight of 1397.83 g/mol, XLogP of 12.65, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclohexyloxolan-3-yl) 2-methylbutanoate;[2-(3-cyclohexyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-ethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(3-methyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(3-propan-2-yloxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158651413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).