[3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate

C174H304O31 — CID 161467192

About [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate

[3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate (PubChem CID 161467192) has the molecular formula C174H304O31 and a molecular weight of 2892.31 g/mol. Its IUPAC name is [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate
• PubChem CID: 161467192
• Molecular Formula: C174H304O31
• Molecular Weight: 2892.31 g/mol
• Exact Mass: 2890.22
• IUPAC Name: [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C)CCCCCCC1.CCC(C)(C)C(=O)OC1(C)CCCCCCCCC1.CCC(C)(C)C(=O)OC1(C)CCCCCCCCCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(OC(=O)OC(C)(C)C)(C3)C1)C2.CCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCC1(OC(=O)C(C)(C)CC)CCCCCCC1.CCCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCCCOCOC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCCOCOC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2
• InChI: InChI=1S/C23H38O5.C22H36O5.C21H34O5.C21H36O4.C20H34O4.C19H36O2.C17H32O2.C16H30O2.C15H28O2/c1-7-9-21(5,6)27-19(25)28-23-13-16-10-17(14-23)12-22(11-16,15-23)26-18(24)20(3,4)8-2;1-7-19(3,4)17(23)25-21-10-15-9-16(11-21)13-22(12-15,14-21)27-18(24)26-20(5,6)8-2;1-7-19(5,6)16(22)24-20-9-14-8-15(10-20)12-21(11-14,13-20)26-17(23)25-18(2,3)4;1-5-7-8-23-15-24-20-10-16-9-17(11-20)13-21(12-16,14-20)25-18(22)19(3,4)6-2;1-5-7-22-14-23-19-9-15-8-16(10-19)12-20(11-15,13-19)24-17(21)18(3,4)6-2;1-5-18(2,3)17(20)21-19(4)15-13-11-9-7-6-8-10-12-14-16-19;1-5-16(2,3)15(18)19-17(4)13-11-9-7-6-8-10-12-14-17;1-5-15(3,4)14(17)18-16(6-2)12-10-8-7-9-11-13-16;1-5-14(2,3)13(16)17-15(4)11-9-7-6-8-10-12-15/h16-17H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3;16-17H,5-15H2,1-4H3;15-16H,5-14H2,1-4H3;5-16H2,1-4H3;5-14H2,1-4H3;5-13H2,1-4H3;5-12H2,1-4H3
• InChIKey: WCPAUNDEIUROCX-UHFFFAOYSA-N
• XLogP: 46.11
• TPSA: 380.21 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 47
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2892.31
LogP ≤ 5	46.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate?

The IUPAC name of [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate (CID 161467192) is [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate.

What is the SMILES notation for [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate?

The canonical SMILES for [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C)CCCCCCC1.CCC(C)(C)C(=O)OC1(C)CCCCCCCCC1.CCC(C)(C)C(=O)OC1(C)CCCCCCCCCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(OC(=O)OC(C)(C)C)(C3)C1)C2.CCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCC1(OC(=O)C(C)(C)CC)CCCCCCC1.CCCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCCCOCOC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCCOCOC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.

What is the InChIKey of [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate?

The InChIKey is WCPAUNDEIUROCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O5.C22H36O5.C21H34O5.C21H36O4.C20H34O4.C19H36O2.C17H32O2.C16H30O2.C15H28O2/c1-7-9-21(5,6)27-19(25)28-23-13-16-10-17(14-23)12-22(11-16,15-23)26-18(24)20(3,4)8-2;1-7-19(3,4)17(23)25-21-10-15-9-16(11-21)13-22(12-15,14-21)27-18(24)26-20(5,6)8-2;1-7-19(5,6)16(22)24-20-9-14-8-15(10-20)12-21(11-14,13-20)26-17(23)25-18(2,3)4;1-5-7-8-23-15-24-20-10-16-9-17(11-20)13-21(12-16,14-20)25-18(22)19(3,4)6-2;1-5-7-22-14-23-19-9-15-8-16(10-19)12-20(11-15,13-19)24-17(21)18(3,4)6-2;1-5-18(2,3)17(20)21-19(4)15-13-11-9-7-6-8-10-12-14-16-19;1-5-16(2,3)15(18)19-17(4)13-11-9-7-6-8-10-12-14-17;1-5-15(3,4)14(17)18-16(6-2)12-10-8-7-9-11-13-16;1-5-14(2,3)13(16)17-15(4)11-9-7-6-8-10-12-15/h16-17H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3;16-17H,5-15H2,1-4H3;15-16H,5-14H2,1-4H3;5-16H2,1-4H3;5-14H2,1-4H3;5-13H2,1-4H3;5-12H2,1-4H3.

What are the key properties of [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate?

[3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate has a molecular weight of 2892.31 g/mol, XLogP of 46.11, 47 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-ethylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclooctyl) 2,2-dimethylbutanoate;[3-(2-methylpentan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 161467192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).