(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate

C149H220O39 — CID 158226874

About (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate

(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate (PubChem CID 158226874) has the molecular formula C149H220O39 and a molecular weight of 2635.36 g/mol. Its IUPAC name is (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
• PubChem CID: 158226874
• Molecular Formula: C149H220O39
• Molecular Weight: 2635.36 g/mol
• Exact Mass: 2633.52
• IUPAC Name: (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1CC2CC1C1C(=O)OCC21.CCC(C)(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(C)(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OCC(=O)OC1CC2CC1C1C(=O)OCC21
• InChI: InChI=1S/C19H32O2.C17H24O6.C17H26O2.C17H28O2.C15H20O7.C15H18O6.C14H20O3.C13H14O7.C12H22O2.C10H16O2/c1-6-18(4,5)17(20)21-19(12(2)3)15-8-13-7-14(10-15)11-16(19)9-13;1-4-17(2,3)16(20)22-8-13(18)23-12-6-9-5-10(12)14-11(9)7-21-15(14)19;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-5-15(2,3)14(18)19-17-9-12-6-13(10-17)8-16(4,7-12)11-17;1-4-15(2,3)14(18)19-6-9(16)21-11-8-5-7-10(20-8)12(11)22-13(7)17;1-7(2)14(17)20-6-12(16)21-11-4-8-3-9(11)13-10(8)5-19-15(13)18;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-5(2)12(15)17-4-8(14)19-10-7-3-6-9(18-7)11(10)20-13(6)16;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-8(2)9(11)12-10(3)6-4-5-7-10/h12-16H,6-11H2,1-5H3;9-12,14H,4-8H2,1-3H3;11-15H,1,5-9H2,2-4H3;12-13H,5-11H2,1-4H3;7-8,10-12H,4-6H2,1-3H3;8-11,13H,1,3-6H2,2H3;10-11,16H,1,3-8H2,2H3;6-7,9-11H,1,3-4H2,2H3;5-9H2,1-4H3;1,4-7H2,2-3H3
• InChIKey: GDXBBSIRUQPOLG-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 512.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.36
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

The IUPAC name of (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate (CID 158226874) is (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate.

What is the SMILES notation for (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

The canonical SMILES for (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1CC2CC1C1C(=O)OCC21.CCC(C)(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(C)(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OCC(=O)OC1CC2CC1C1C(=O)OCC21.

What is the InChIKey of (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

The InChIKey is GDXBBSIRUQPOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2.C17H24O6.C17H26O2.C17H28O2.C15H20O7.C15H18O6.C14H20O3.C13H14O7.C12H22O2.C10H16O2/c1-6-18(4,5)17(20)21-19(12(2)3)15-8-13-7-14(10-15)11-16(19)9-13;1-4-17(2,3)16(20)22-8-13(18)23-12-6-9-5-10(12)14-11(9)7-21-15(14)19;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-5-15(2,3)14(18)19-17-9-12-6-13(10-17)8-16(4,7-12)11-17;1-4-15(2,3)14(18)19-6-9(16)21-11-8-5-7-10(20-8)12(11)22-13(7)17;1-7(2)14(17)20-6-12(16)21-11-4-8-3-9(11)13-10(8)5-19-15(13)18;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-5(2)12(15)17-4-8(14)19-10-7-3-6-9(18-7)11(10)20-13(6)16;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-8(2)9(11)12-10(3)6-4-5-7-10/h12-16H,6-11H2,1-5H3;9-12,14H,4-8H2,1-3H3;11-15H,1,5-9H2,2-4H3;12-13H,5-11H2,1-4H3;7-8,10-12H,4-6H2,1-3H3;8-11,13H,1,3-6H2,2H3;10-11,16H,1,3-8H2,2H3;6-7,9-11H,1,3-4H2,2H3;5-9H2,1-4H3;1,4-7H2,2-3H3.

What are the key properties of (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate has a molecular weight of 2635.36 g/mol, XLogP of 23.90, 35 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(3-methyl-1-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)oxy]ethyl] 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 158226874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).