[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate

C165H282O24 — CID 159581339

About [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate

[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 159581339) has the molecular formula C165H282O24 and a molecular weight of 2650.05 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 159581339
• Molecular Formula: C165H282O24
• Molecular Weight: 2650.05 g/mol
• Exact Mass: 2648.08
• IUPAC Name: [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1O2.CCC(C)(C)C(=O)OC(CC)(CC)C1CC2CCC1O2.CCC(C)(C)C(=O)OC1(C2CC3CCC2O3)CCCC1.CCC(C)C(=O)OC1(C2CC3CCC2C3)CCCC1.CCC(C)C(=O)OC1(C2CC3CCC2C3)CCCCC1.CCC(C)C(=O)OC1(C2CC3CCC2O3)CCCCC1.CCC(C)C(=O)OC1(C2CCCC2)CCCC1.CCC(C)C(=O)OC1(C2CCCC2)CCCCC1.CCC(C)C(=O)OC1(C2CCCCC2)CCCC1.CCC(C)C(=O)OC1(C2CCCCC2)CCCCC1
• InChI: InChI=1S/C18H30O2.2C17H28O3.C17H30O3.C17H28O2.C17H30O2.2C16H28O2.C15H26O3.C15H26O2/c1-3-13(2)17(19)20-18(9-5-4-6-10-18)16-12-14-7-8-15(16)11-14;1-4-16(2,3)15(18)20-17(9-5-6-10-17)13-11-12-7-8-14(13)19-12;1-3-12(2)16(18)20-17(9-5-4-6-10-17)14-11-13-7-8-15(14)19-13;1-6-16(4,5)15(18)20-17(7-2,8-3)13-11-12-9-10-14(13)19-12;1-3-12(2)16(18)19-17(8-4-5-9-17)15-11-13-6-7-14(15)10-13;1-3-14(2)16(18)19-17(12-8-5-9-13-17)15-10-6-4-7-11-15;1-3-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-6-10-14;1-3-13(2)15(17)18-16(11-7-8-12-16)14-9-5-4-6-10-14;1-6-14(2,3)13(16)18-15(4,5)11-9-10-7-8-12(11)17-10;1-3-12(2)14(16)17-15(10-6-7-11-15)13-8-4-5-9-13/h13-16H,3-12H2,1-2H3;12-14H,4-11H2,1-3H3;12-15H,3-11H2,1-2H3;12-14H,6-11H2,1-5H3;12-15H,3-11H2,1-2H3;14-15H,3-13H2,1-2H3;2*13-14H,3-12H2,1-2H3;10-12H,6-9H2,1-5H3;12-13H,3-11H2,1-2H3
• InChIKey: MJBDGIGWXFDFEJ-UHFFFAOYSA-N
• XLogP: 42.01
• TPSA: 299.92 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.05
LogP ≤ 5	42.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate (CID 159581339) is [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1O2.CCC(C)(C)C(=O)OC(CC)(CC)C1CC2CCC1O2.CCC(C)(C)C(=O)OC1(C2CC3CCC2O3)CCCC1.CCC(C)C(=O)OC1(C2CC3CCC2C3)CCCC1.CCC(C)C(=O)OC1(C2CC3CCC2C3)CCCCC1.CCC(C)C(=O)OC1(C2CC3CCC2O3)CCCCC1.CCC(C)C(=O)OC1(C2CCCC2)CCCC1.CCC(C)C(=O)OC1(C2CCCC2)CCCCC1.CCC(C)C(=O)OC1(C2CCCCC2)CCCC1.CCC(C)C(=O)OC1(C2CCCCC2)CCCCC1.

What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate?

The InChIKey is MJBDGIGWXFDFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2.2C17H28O3.C17H30O3.C17H28O2.C17H30O2.2C16H28O2.C15H26O3.C15H26O2/c1-3-13(2)17(19)20-18(9-5-4-6-10-18)16-12-14-7-8-15(16)11-14;1-4-16(2,3)15(18)20-17(9-5-6-10-17)13-11-12-7-8-14(13)19-12;1-3-12(2)16(18)20-17(9-5-4-6-10-17)14-11-13-7-8-15(14)19-13;1-6-16(4,5)15(18)20-17(7-2,8-3)13-11-12-9-10-14(13)19-12;1-3-12(2)16(18)19-17(8-4-5-9-17)15-11-13-6-7-14(15)10-13;1-3-14(2)16(18)19-17(12-8-5-9-13-17)15-10-6-4-7-11-15;1-3-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-6-10-14;1-3-13(2)15(17)18-16(11-7-8-12-16)14-9-5-4-6-10-14;1-6-14(2,3)13(16)18-15(4,5)11-9-10-7-8-12(11)17-10;1-3-12(2)14(16)17-15(10-6-7-11-15)13-8-4-5-9-13/h13-16H,3-12H2,1-2H3;12-14H,4-11H2,1-3H3;12-15H,3-11H2,1-2H3;12-14H,6-11H2,1-5H3;12-15H,3-11H2,1-2H3;14-15H,3-13H2,1-2H3;2*13-14H,3-12H2,1-2H3;10-12H,6-9H2,1-5H3;12-13H,3-11H2,1-2H3.

What are the key properties of [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate?

[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 2650.05 g/mol, XLogP of 42.01, 42 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate;(1-cyclohexylcyclohexyl) 2-methylbutanoate;(1-cyclohexylcyclopentyl) 2-methylbutanoate;(1-cyclopentylcyclohexyl) 2-methylbutanoate;(1-cyclopentylcyclopentyl) 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylbutanoate;[1-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2,2-dimethylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 159581339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).