[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C101H162O20 — CID 157416066

About [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 157416066) has the molecular formula C101H162O20 and a molecular weight of 1696.39 g/mol. Its IUPAC name is [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 157416066
• Molecular Formula: C101H162O20
• Molecular Weight: 1696.39 g/mol
• Exact Mass: 1695.17
• IUPAC Name: [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CC1C2CC(C(=O)OCC(=O)OC(C)(C)C3CCCC3)C(C2)C1C.CC1C2CC(C(=O)OCC(=O)OC3(C)CCCC3)C(C2)C1C.CCC(CC)(OC(=O)COC(=O)C1CC2CC1C(C)C2C)C1CCCCC1.CCC1(OC(=O)CCOC(=O)C2CC3CC2C(C)C3C)CCCC1.CCC1(OC(=O)COC(=O)C2CC3CC2C(C)C3C)CCCCC1
• InChI: InChI=1S/C23H38O4.3C20H32O4.C18H28O4/c1-5-23(6-2,18-10-8-7-9-11-18)27-21(24)14-26-22(25)20-13-17-12-19(20)16(4)15(17)3;1-12-13(2)16-9-14(12)10-17(16)19(22)23-11-18(21)24-20(3,4)15-7-5-6-8-15;1-4-20(8-5-6-9-20)24-18(21)7-10-23-19(22)17-12-15-11-16(17)14(3)13(15)2;1-4-20(8-6-5-7-9-20)24-18(21)12-23-19(22)17-11-15-10-16(17)14(3)13(15)2;1-11-12(2)14-8-13(11)9-15(14)17(20)21-10-16(19)22-18(3)6-4-5-7-18/h15-20H,5-14H2,1-4H3;12-17H,5-11H2,1-4H3;2*13-17H,4-12H2,1-3H3;11-15H,4-10H2,1-3H3
• InChIKey: BOVZKLWXWIUWSR-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 263.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.39
LogP ≤ 5	20.67
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-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 157416066) is [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OCC(=O)OC(C)(C)C3CCCC3)C(C2)C1C.CC1C2CC(C(=O)OCC(=O)OC3(C)CCCC3)C(C2)C1C.CCC(CC)(OC(=O)COC(=O)C1CC2CC1C(C)C2C)C1CCCCC1.CCC1(OC(=O)CCOC(=O)C2CC3CC2C(C)C3C)CCCC1.CCC1(OC(=O)COC(=O)C2CC3CC2C(C)C3C)CCCCC1.

What is the InChIKey of [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is BOVZKLWXWIUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4.3C20H32O4.C18H28O4/c1-5-23(6-2,18-10-8-7-9-11-18)27-21(24)14-26-22(25)20-13-17-12-19(20)16(4)15(17)3;1-12-13(2)16-9-14(12)10-17(16)19(22)23-11-18(21)24-20(3,4)15-7-5-6-8-15;1-4-20(8-5-6-9-20)24-18(21)7-10-23-19(22)17-12-15-11-16(17)14(3)13(15)2;1-4-20(8-6-5-7-9-20)24-18(21)12-23-19(22)17-11-15-10-16(17)14(3)13(15)2;1-11-12(2)14-8-13(11)9-15(14)17(20)21-10-16(19)22-18(3)6-4-5-7-18/h15-20H,5-14H2,1-4H3;12-17H,5-11H2,1-4H3;2*13-17H,4-12H2,1-3H3;11-15H,4-10H2,1-3H3.

What are the key properties of [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?

[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 1696.39 g/mol, XLogP of 20.67, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[3-(1-ethylcyclopentyl)oxy-3-oxopropyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 157416066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).