[2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate

C159H287F5O33 — CID 160968291

About [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate

[2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate (PubChem CID 160968291) has the molecular formula C159H287F5O33 and a molecular weight of 2822.00 g/mol. Its IUPAC name is [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate
• PubChem CID: 160968291
• Molecular Formula: C159H287F5O33
• Molecular Weight: 2822.00 g/mol
• Exact Mass: 2820.07
• IUPAC Name: [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate
• SMILES: CC1C2CC(C(=O)OCOC3CCCCC3)C(C2)C1C.CCC(C)(C)C(=O)OC(C)(C)OC1CCCCC1.CCC(C)(C)C(=O)OC(C)OCC(F)(F)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC(C)C.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(OC(C)C)C(C)C.CCC(C)(C)C(=O)OC(OC1CC2CCCC(C)C2O1)C(C)C.CCC(C)(C)C(=O)OC(OC1CCCCC1)C(C)C.CCC(C)(C)C(=O)OCC(=O)OC(OC)C12CC3CC(CC(C3)C1)C2.CCC(OC(=O)C(C)(C)CC)OC1CCCCC1
• InChI: InChI=1S/C20H32O5.C19H34O4.C18H34O3.C17H28O3.C16H30O3.2C15H28O3.C15H30O3.C13H26O3.C11H17F5O3/c1-5-19(2,3)17(22)24-12-16(21)25-18(23-4)20-9-13-6-14(10-20)8-15(7-13)11-20;1-7-19(5,6)18(20)23-17(12(2)3)22-15-11-14-10-8-9-13(4)16(14)21-15;1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-11-12(2)15-8-13(11)9-16(15)17(18)20-10-19-14-6-4-3-5-7-14;1-6-16(4,5)15(17)19-14(12(2)3)18-13-10-8-7-9-11-13;1-6-14(2,3)13(16)18-15(4,5)17-12-10-8-7-9-11-12;1-5-13(17-12-10-8-7-9-11-12)18-14(16)15(3,4)6-2;1-9-15(7,8)13(16)18-12(17-11(2)3)10-14(4,5)6;1-8-13(6,7)12(14)16-11(9(2)3)15-10(4)5;1-5-9(3,4)8(17)19-7(2)18-6-10(12,13)11(14,15)16/h13-15,18H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;14-15H,7-13H2,1-6H3;11-16H,3-10H2,1-2H3;12-14H,6-11H2,1-5H3;12H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;11-12H,9-10H2,1-8H3;9-11H,8H2,1-7H3;7H,5-6H2,1-4H3
• InChIKey: SXXKJHLIHGLXCS-UHFFFAOYSA-N
• XLogP: 40.51
• TPSA: 390.83 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 58
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2822.00
LogP ≤ 5	40.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate?

The IUPAC name of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate (CID 160968291) is [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate.

What is the SMILES notation for [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate?

The canonical SMILES for [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate is CC1C2CC(C(=O)OCOC3CCCCC3)C(C2)C1C.CCC(C)(C)C(=O)OC(C)(C)OC1CCCCC1.CCC(C)(C)C(=O)OC(C)OCC(F)(F)C(F)(F)F.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC(C)C.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(OC(C)C)C(C)C.CCC(C)(C)C(=O)OC(OC1CC2CCCC(C)C2O1)C(C)C.CCC(C)(C)C(=O)OC(OC1CCCCC1)C(C)C.CCC(C)(C)C(=O)OCC(=O)OC(OC)C12CC3CC(CC(C3)C1)C2.CCC(OC(=O)C(C)(C)CC)OC1CCCCC1.

What is the InChIKey of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate?

The InChIKey is SXXKJHLIHGLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O5.C19H34O4.C18H34O3.C17H28O3.C16H30O3.2C15H28O3.C15H30O3.C13H26O3.C11H17F5O3/c1-5-19(2,3)17(22)24-12-16(21)25-18(23-4)20-9-13-6-14(10-20)8-15(7-13)11-20;1-7-19(5,6)18(20)23-17(12(2)3)22-15-11-14-10-8-9-13(4)16(14)21-15;1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-11-12(2)15-8-13(11)9-16(15)17(18)20-10-19-14-6-4-3-5-7-14;1-6-16(4,5)15(17)19-14(12(2)3)18-13-10-8-7-9-11-13;1-6-14(2,3)13(16)18-15(4,5)17-12-10-8-7-9-11-12;1-5-13(17-12-10-8-7-9-11-12)18-14(16)15(3,4)6-2;1-9-15(7,8)13(16)18-12(17-11(2)3)10-14(4,5)6;1-8-13(6,7)12(14)16-11(9(2)3)15-10(4)5;1-5-9(3,4)8(17)19-7(2)18-6-10(12,13)11(14,15)16/h13-15,18H,5-12H2,1-4H3;12-17H,7-11H2,1-6H3;14-15H,7-13H2,1-6H3;11-16H,3-10H2,1-2H3;12-14H,6-11H2,1-5H3;12H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;11-12H,9-10H2,1-8H3;9-11H,8H2,1-7H3;7H,5-6H2,1-4H3.

What are the key properties of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate?

[2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate has a molecular weight of 2822.00 g/mol, XLogP of 40.51, 58 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;(1-cyclohexyloxy-2-methylpropyl) 2,2-dimethylbutanoate;2-cyclohexyloxypropan-2-yl 2,2-dimethylbutanoate;1-cyclohexyloxypropyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2,2-dimethylbutanoate;[2-methyl-1-[(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)oxy]propyl] 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;1-(2,2,3,3,3-pentafluoropropoxy)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 160968291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).