[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate

C180H288O18 — CID 161171797

About [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate

[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate (PubChem CID 161171797) has the molecular formula C180H288O18 and a molecular weight of 2740.27 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate.

Molecular Properties

• Compound Name: [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate
• PubChem CID: 161171797
• Molecular Formula: C180H288O18
• Molecular Weight: 2740.27 g/mol
• Exact Mass: 2738.16
• IUPAC Name: [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C(C)CCCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C(CC)CC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CC(C)(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCC(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C(CC)CC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CC(C)(C)C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCC(C)C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2
• InChI: InChI=1S/C22H36O2.C21H34O2.4C20H32O2.3C19H30O2/c1-6-7-8-9-16(4)22(24-20(23)15(2)3)18-10-17-11-19(22)14-21(5,12-17)13-18;1-5-6-7-8-9-21(23-19(22)15(2)3)17-10-16-11-18(21)14-20(4,12-16)13-17;1-13(2)17(21)22-20(12-18(3,4)5)15-7-14-8-16(20)11-19(6,9-14)10-15;1-13(2)6-7-20(22-18(21)14(3)4)16-8-15-9-17(20)12-19(5,10-15)11-16;1-6-15(7-2)20(22-18(21)13(3)4)16-8-14-9-17(20)12-19(5,10-14)11-16;1-4-6-7-8-9-20(22-18(21)5-2)16-10-15-11-17(20)14-19(3,12-15)13-16;1-6-16(20)21-19(12-17(2,3)4)14-7-13-8-15(19)11-18(5,9-13)10-14;1-5-17(20)21-19(7-6-13(2)3)15-8-14-9-16(19)12-18(4,10-14)11-15;1-5-14(6-2)19(21-17(20)7-3)15-8-13-9-16(19)12-18(4,10-13)11-15/h16-19H,2,6-14H2,1,3-5H3;16-18H,2,5-14H2,1,3-4H3;14-16H,1,7-12H2,2-6H3;13,15-17H,3,6-12H2,1-2,4-5H3;14-17H,3,6-12H2,1-2,4-5H3;5,15-17H,2,4,6-14H2,1,3H3;6,13-15H,1,7-12H2,2-5H3;5,13-16H,1,6-12H2,2-4H3;7,13-16H,3,5-6,8-12H2,1-2,4H3
• InChIKey: URGXETOJDWATRX-UHFFFAOYSA-N
• XLogP: 46.43
• TPSA: 236.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 47
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.27
LogP ≤ 5	46.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate?

The IUPAC name of [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate (CID 161171797) is [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate.

What is the SMILES notation for [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate?

The canonical SMILES for [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate is C=C(C)C(=O)OC1(C(C)CCCCC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(C(CC)CC)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CC(C)(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCC(C)C)C2CC3CC1CC(C)(C3)C2.C=C(C)C(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(C(CC)CC)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CC(C)(C)C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCC(C)C)C2CC3CC1CC(C)(C3)C2.C=CC(=O)OC1(CCCCCC)C2CC3CC1CC(C)(C3)C2.

What is the InChIKey of [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate?

The InChIKey is URGXETOJDWATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2.C21H34O2.4C20H32O2.3C19H30O2/c1-6-7-8-9-16(4)22(24-20(23)15(2)3)18-10-17-11-19(22)14-21(5,12-17)13-18;1-5-6-7-8-9-21(23-19(22)15(2)3)17-10-16-11-18(21)14-20(4,12-16)13-17;1-13(2)17(21)22-20(12-18(3,4)5)15-7-14-8-16(20)11-19(6,9-14)10-15;1-13(2)6-7-20(22-18(21)14(3)4)16-8-15-9-17(20)12-19(5,10-15)11-16;1-6-15(7-2)20(22-18(21)13(3)4)16-8-14-9-17(20)12-19(5,10-14)11-16;1-4-6-7-8-9-20(22-18(21)5-2)16-10-15-11-17(20)14-19(3,12-15)13-16;1-6-16(20)21-19(12-17(2,3)4)14-7-13-8-15(19)11-18(5,9-13)10-14;1-5-17(20)21-19(7-6-13(2)3)15-8-14-9-16(19)12-18(4,10-14)11-15;1-5-14(6-2)19(21-17(20)7-3)15-8-13-9-16(19)12-18(4,10-13)11-15/h16-19H,2,6-14H2,1,3-5H3;16-18H,2,5-14H2,1,3-4H3;14-16H,1,7-12H2,2-6H3;13,15-17H,3,6-12H2,1-2,4-5H3;14-17H,3,6-12H2,1-2,4-5H3;5,15-17H,2,4,6-14H2,1,3H3;6,13-15H,1,7-12H2,2-5H3;5,13-16H,1,6-12H2,2-4H3;7,13-16H,3,5-6,8-12H2,1-2,4H3.

What are the key properties of [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate?

[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate has a molecular weight of 2740.27 g/mol, XLogP of 46.43, 47 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] 2-methylprop-2-enoate;[2-(2,2-dimethylpropyl)-5-methyl-2-adamantyl] prop-2-enoate;(2-heptan-2-yl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) 2-methylprop-2-enoate;(2-hexyl-5-methyl-2-adamantyl) prop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] 2-methylprop-2-enoate;[5-methyl-2-(3-methylbutyl)-2-adamantyl] prop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) 2-methylprop-2-enoate;(5-methyl-2-pentan-3-yl-2-adamantyl) prop-2-enoate is sourced from PubChem (CID 161171797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).