[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate

C75H128O20 — CID 159586962

About [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate

[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate (PubChem CID 159586962) has the molecular formula C75H128O20 and a molecular weight of 1349.83 g/mol. Its IUPAC name is [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate.

Molecular Properties

• Compound Name: [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate
• PubChem CID: 159586962
• Molecular Formula: C75H128O20
• Molecular Weight: 1349.83 g/mol
• Exact Mass: 1348.90
• IUPAC Name: [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.CCC(C)C(=O)OCC(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)C(=O)OCC(=O)OC1(CC)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/C17H28O4.3C15H26O4.C13H22O4/c1-5-11(2)16(19)20-10-15(18)21-17(3,4)14-9-12-6-7-13(14)8-12;1-5-14(2,3)13(17)18-11-12(16)19-15(4)9-7-6-8-10-15;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-4-12(3)14(17)18-11-13(16)19-15(5-2)9-7-6-8-10-15;1-4-10(2)12(15)16-9-11(14)17-13(3)7-5-6-8-13/h11-14H,5-10H2,1-4H3;2*5-11H2,1-4H3;12H,4-11H2,1-3H3;10H,4-9H2,1-3H3
• InChIKey: MJSWRSLVDWOSAS-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.83
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate?

The IUPAC name of [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate (CID 159586962) is [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate.

What is the SMILES notation for [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate?

The canonical SMILES for [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCCC1.CCC(C)C(=O)OCC(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)C(=O)OCC(=O)OC1(CC)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate?

The InChIKey is MJSWRSLVDWOSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4.3C15H26O4.C13H22O4/c1-5-11(2)16(19)20-10-15(18)21-17(3,4)14-9-12-6-7-13(14)8-12;1-5-14(2,3)13(17)18-11-12(16)19-15(4)9-7-6-8-10-15;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-4-12(3)14(17)18-11-13(16)19-15(5-2)9-7-6-8-10-15;1-4-10(2)12(15)16-9-11(14)17-13(3)7-5-6-8-13/h11-14H,5-10H2,1-4H3;2*5-11H2,1-4H3;12H,4-11H2,1-3H3;10H,4-9H2,1-3H3.

What are the key properties of [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate?

[2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate has a molecular weight of 1349.83 g/mol, XLogP of 15.48, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxy]-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methylbutanoate is sourced from PubChem (CID 159586962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).