2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate

C151H252O36 — CID 160672161

About 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate (PubChem CID 160672161) has the molecular formula C151H252O36 and a molecular weight of 2643.64 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate
• PubChem CID: 160672161
• Molecular Formula: C151H252O36
• Molecular Weight: 2643.64 g/mol
• Exact Mass: 2641.79
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate
• SMILES: CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OOC1(C(C)C)CCCCC1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/2C16H26O4.C16H26O3.C16H28O2.C15H28O3.2C14H20O4.C13H18O4.C13H24O2.3C6H12O2/c2*1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-6-15(2,3)14(17)18-16(4,5)13-10-11-7-8-12(13)9-11;1-6-14(4,5)13(16)17-18-15(12(2)3)10-8-7-9-11-15;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;3*1-4-6(2,3)5(7)8/h2*11,18-19H,4-10H2,1-3H3;11-12,18H,4-10H2,1-3H3;11-13H,6-10H2,1-5H3;12H,6-11H2,1-5H3;2*7-11H,4-6H2,1-3H3;6-11H,3-5H2,1-2H3;5-10H2,1-4H3;3*4H2,1-3H3,(H,7,8)
• InChIKey: RNBHLMQONHURPA-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 537.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2643.64
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate (CID 160672161) is 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate is CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC(C)(C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OOC1(C(C)C)CCCCC1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate?

The InChIKey is RNBHLMQONHURPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26O4.C16H26O3.C16H28O2.C15H28O3.2C14H20O4.C13H18O4.C13H24O2.3C6H12O2/c2*1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-6-15(2,3)14(17)18-16(4,5)13-10-11-7-8-12(13)9-11;1-6-14(4,5)13(16)17-18-15(12(2)3)10-8-7-9-11-15;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;3*1-4-6(2,3)5(7)8/h2*11,18-19H,4-10H2,1-3H3;11-12,18H,4-10H2,1-3H3;11-13H,6-10H2,1-5H3;12H,6-11H2,1-5H3;2*7-11H,4-6H2,1-3H3;6-11H,3-5H2,1-2H3;5-10H2,1-4H3;3*4H2,1-3H3,(H,7,8).

What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate?

2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate has a molecular weight of 2643.64 g/mol, XLogP of 29.38, 37 rotatable bonds, 8 hydrogen bond donors, and 33 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;bis((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);tris(2,2-dimethylbutanoic acid);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutaneperoxoate is sourced from PubChem (CID 160672161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).