2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate

C140H250O32 — CID 160903566

About 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate

2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate (PubChem CID 160903566) has the molecular formula C140H250O32 and a molecular weight of 2445.51 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate
• PubChem CID: 160903566
• Molecular Formula: C140H250O32
• Molecular Weight: 2445.51 g/mol
• Exact Mass: 2443.79
• IUPAC Name: 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate
• SMILES: CC.CC.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C)(C)C)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C)(C)C14CC5CC(CC(C5)C1)C4)(C3)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)C.CCC(C)(C)OC(=O)CCCOC(=O)C(C)(C)CC.CCC(C)(C)OC(=O)COC(=O)C(C)(C)CC
• InChI: InChI=1S/C30H46O4.C21H34O4.C16H30O4.2C15H28O4.C14H26O4.C13H24O4.C12H22O4.2C2H6/c1-6-26(2,3)24(31)34-30-16-22-10-23(17-30)12-28(11-22,18-30)25(32)33-27(4,5)29-13-19-7-20(14-29)9-21(8-19)15-29;1-7-19(5,6)16(22)25-21-11-14-8-15(12-21)10-20(9-14,13-21)17(23)24-18(2,3)4;1-10-14(4,5)12(17)19-16(8,9)13(18)20-15(6,7)11(2)3;1-9-14(5,6)12(17)18-10-11(16)19-15(7,8)13(2,3)4;1-7-14(3,4)13(17)18-11-9-10-12(16)19-15(5,6)8-2;1-8-13(4,5)12(16)17-9-11(15)18-14(6,7)10(2)3;1-7-12(3,4)11(15)16-9-10(14)17-13(5,6)8-2;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4;2*1-2/h19-23H,6-18H2,1-5H3;14-15H,7-13H2,1-6H3;11H,10H2,1-9H3;9-10H2,1-8H3;7-11H2,1-6H3;10H,8-9H2,1-7H3;7-9H2,1-6H3;7-8H2,1-6H3;2*1-2H3
• InChIKey: SPVHDOGCQPXZMW-UHFFFAOYSA-N
• XLogP: 32.02
• TPSA: 420.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 45
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2445.51
LogP ≤ 5	32.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate?

The IUPAC name of 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate (CID 160903566) is 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate is CC.CC.CCC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C)(C)C)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C)(C)C14CC5CC(CC(C5)C1)C4)(C3)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)(C)C.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C(C)C.CCC(C)(C)OC(=O)CCCOC(=O)C(C)(C)CC.CCC(C)(C)OC(=O)COC(=O)C(C)(C)CC.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate?

The InChIKey is SPVHDOGCQPXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O4.C21H34O4.C16H30O4.2C15H28O4.C14H26O4.C13H24O4.C12H22O4.2C2H6/c1-6-26(2,3)24(31)34-30-16-22-10-23(17-30)12-28(11-22,18-30)25(32)33-27(4,5)29-13-19-7-20(14-29)9-21(8-19)15-29;1-7-19(5,6)16(22)25-21-11-14-8-15(12-21)10-20(9-14,13-21)17(23)24-18(2,3)4;1-10-14(4,5)12(17)19-16(8,9)13(18)20-15(6,7)11(2)3;1-9-14(5,6)12(17)18-10-11(16)19-15(7,8)13(2,3)4;1-7-14(3,4)13(17)18-11-9-10-12(16)19-15(5,6)8-2;1-8-13(4,5)12(16)17-9-11(15)18-14(6,7)10(2)3;1-7-12(3,4)11(15)16-9-10(14)17-13(5,6)8-2;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4;2*1-2/h19-23H,6-18H2,1-5H3;14-15H,7-13H2,1-6H3;11H,10H2,1-9H3;9-10H2,1-8H3;7-11H2,1-6H3;10H,8-9H2,1-7H3;7-9H2,1-6H3;7-8H2,1-6H3;2*1-2H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate?

2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate has a molecular weight of 2445.51 g/mol, XLogP of 32.02, 45 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;tert-butyl 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;[1-(2,3-dimethylbutan-2-yloxy)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate;[2-(2,3-dimethylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane;[4-(2-methylbutan-2-yloxy)-4-oxobutyl] 2,2-dimethylbutanoate;[2-(2-methylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 160903566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).