2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate

C127H200O14 — CID 162159924

About 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 162159924) has the molecular formula C127H200O14 and a molecular weight of 1950.98 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 162159924
• Molecular Formula: C127H200O14
• Molecular Weight: 1950.98 g/mol
• Exact Mass: 1949.49
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)(C)C1C2CC3C4CC5CC3C1C(C5)C4C2.CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)OC12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)OC12CC3CC4C5CC(CC1C5)CC42C3.CCC(C)(C)C(=O)OC1(C)C2CC3C4CC5CC3C1C(C5)C4C2
• InChI: InChI=1S/2C23H36O2.2C22H34O3.C21H32O2.C16H28O2/c1-6-21(2,3)20(24)25-22(4,5)23-10-17-14-7-13-8-15(17)19(12-23)16(9-13)18(14)11-23;1-6-22(2,3)21(24)25-23(4,5)20-13-10-15-14-7-12-8-17(15)19(20)18(9-12)16(14)11-13;1-5-20(3,4)19(23)24-13(2)25-22-12-15-8-18-16-6-14(7-17(22)9-16)10-21(18,22)11-15;1-5-21(3,4)20(23)24-12(2)25-22-9-17-14-6-13-7-15(17)19(11-22)16(8-13)18(14)10-22;1-5-20(2,3)19(22)23-21(4)12-9-14-13-6-11-7-16(14)18(21)17(8-11)15(13)10-12;1-6-15(2,3)14(17)18-16(4,5)13-10-11-7-8-12(13)9-11/h13-19H,6-12H2,1-5H3;12-20H,6-11H2,1-5H3;13-18H,5-12H2,1-4H3;12-19H,5-11H2,1-4H3;11-18H,5-10H2,1-4H3;11-13H,6-10H2,1-5H3
• InChIKey: ZMIKUNDZSVZUCT-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 176.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.98
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate (CID 162159924) is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)(C)C1C2CC3C4CC5CC3C1C(C5)C4C2.CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC(C)OC12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)OC12CC3CC4C5CC(CC1C5)CC42C3.CCC(C)(C)C(=O)OC1(C)C2CC3C4CC5CC3C1C(C5)C4C2.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

The InChIKey is ZMIKUNDZSVZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H36O2.2C22H34O3.C21H32O2.C16H28O2/c1-6-21(2,3)20(24)25-22(4,5)23-10-17-14-7-13-8-15(17)19(12-23)16(9-13)18(14)11-23;1-6-22(2,3)21(24)25-23(4,5)20-13-10-15-14-7-12-8-17(15)19(20)18(9-12)16(14)11-13;1-5-20(3,4)19(23)24-13(2)25-22-12-15-8-18-16-6-14(7-17(22)9-16)10-21(18,22)11-15;1-5-21(3,4)20(23)24-12(2)25-22-9-17-14-6-13-7-15(17)19(11-22)16(8-13)18(14)10-22;1-5-20(2,3)19(22)23-21(4)12-9-14-13-6-11-7-16(14)18(21)17(8-11)15(13)10-12;1-6-15(2,3)14(17)18-16(4,5)13-10-11-7-8-12(13)9-11/h13-19H,6-12H2,1-5H3;12-20H,6-11H2,1-5H3;13-18H,5-12H2,1-4H3;12-19H,5-11H2,1-4H3;11-18H,5-10H2,1-4H3;11-13H,6-10H2,1-5H3.

What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 1950.98 g/mol, XLogP of 29.34, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;1-(2-pentacyclo[7.3.1.14,7.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 162159924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).