2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)

C183H286N4O40 — CID 162155687

About 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)

2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate) (PubChem CID 162155687) has the molecular formula C183H286N4O40 and a molecular weight of 3182.29 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)
• PubChem CID: 162155687
• Molecular Formula: C183H286N4O40
• Molecular Weight: 3182.29 g/mol
• Exact Mass: 3180.05
• IUPAC Name: 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1
• InChI: InChI=1S/C19H32O2.2C18H30O2.4C15H19NO4.4C14H24O4.C12H22O2/c1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;2*1-5-17(3,4)16(19)20-18(6-2)14-8-12-7-13(10-14)11-15(18)9-12;4*1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;4*1-5-13(2,3)12(16)17-10-11(15)18-14(4)8-6-7-9-14;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h13-15H,6-12H2,1-5H3;2*12-15H,5-11H2,1-4H3;4*8-11H,4-6H2,1-3H3;4*5-10H2,1-4H3;5-9H2,1-4H3
• InChIKey: ZLUHAJNLFWGYCF-UHFFFAOYSA-N
• XLogP: 36.01
• TPSA: 621.16 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 47
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3182.29
LogP ≤ 5	36.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)?

The IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate) (CID 162155687) is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate).

What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)?

The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OCC(=O)OC1(C)CCCC1.

What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)?

The InChIKey is ZLUHAJNLFWGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2.2C18H30O2.4C15H19NO4.4C14H24O4.C12H22O2/c1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;2*1-5-17(3,4)16(19)20-18(6-2)14-8-12-7-13(10-14)11-15(18)9-12;4*1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;4*1-5-13(2,3)12(16)17-10-11(15)18-14(4)8-6-7-9-14;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h13-15H,6-12H2,1-5H3;2*12-15H,5-11H2,1-4H3;4*8-11H,4-6H2,1-3H3;4*5-10H2,1-4H3;5-9H2,1-4H3.

What are the key properties of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate)?

2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate) has a molecular weight of 3182.29 g/mol, XLogP of 36.01, 47 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;tetrakis((6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);bis((2-ethyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;tetrakis([2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate) is sourced from PubChem (CID 162155687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).