[2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate

C157H280O35 — CID 161467062

About [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate

[2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate (PubChem CID 161467062) has the molecular formula C157H280O35 and a molecular weight of 2727.93 g/mol. Its IUPAC name is [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate
• PubChem CID: 161467062
• Molecular Formula: C157H280O35
• Molecular Weight: 2727.93 g/mol
• Exact Mass: 2726.01
• IUPAC Name: [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)OC1CCCCC1.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(OC1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OC1CC2CCCC(C)C2O1.CCC(C)(C)C(=O)OCC(=O)OC(OC)C12CC3CC(CC(C3)C1)C2.CCC(OC(=O)C(C)(C)CC)OC1CCCCC1.CCOC(OC(=O)C12CC3CC1C(OC2=O)C3OC(=O)COC(=O)C(C)(C)CC)C(CC)(CC)CC
• InChI: InChI=1S/C27H42O9.C20H32O5.C19H34O3.C18H34O3.C15H26O3.2C15H28O3.C15H30O3.C13H26O3/c1-8-25(6,7)21(29)33-15-18(28)34-19-16-13-17-20(19)35-22(30)27(17,14-16)23(31)36-24(32-12-5)26(9-2,10-3)11-4;1-5-19(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;1-4-19(2,3)18(20)22-17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16;1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-5-15(3,4)14(16)18-12-9-11-8-6-7-10(2)13(11)17-12;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/h16-17,19-20,24H,8-15H2,1-7H3;13-15,18H,5-12H2,1-4H3;15-17H,4-14H2,1-3H3;14-15H,7-13H2,1-6H3;10-13H,5-9H2,1-4H3;12H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;11-12H,9-10H2,1-8H3;9-11H,8H2,1-7H3
• InChIKey: WCOPJZAILDNZAA-UHFFFAOYSA-N
• XLogP: 37.09
• TPSA: 424.97 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 58
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2727.93
LogP ≤ 5	37.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate?

The IUPAC name of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate (CID 161467062) is [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate.

What is the SMILES notation for [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate?

The canonical SMILES for [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)OC1CCCCC1.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(OC1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OC1CC2CCCC(C)C2O1.CCC(C)(C)C(=O)OCC(=O)OC(OC)C12CC3CC(CC(C3)C1)C2.CCC(OC(=O)C(C)(C)CC)OC1CCCCC1.CCOC(OC(=O)C12CC3CC1C(OC2=O)C3OC(=O)COC(=O)C(C)(C)CC)C(CC)(CC)CC.

What is the InChIKey of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate?

The InChIKey is WCOPJZAILDNZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O9.C20H32O5.C19H34O3.C18H34O3.C15H26O3.2C15H28O3.C15H30O3.C13H26O3/c1-8-25(6,7)21(29)33-15-18(28)34-19-16-13-17-20(19)35-22(30)27(17,14-16)23(31)36-24(32-12-5)26(9-2,10-3)11-4;1-5-19(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;1-4-19(2,3)18(20)22-17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16;1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-5-15(3,4)14(16)18-12-9-11-8-6-7-10(2)13(11)17-12;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/h16-17,19-20,24H,8-15H2,1-7H3;13-15,18H,5-12H2,1-4H3;15-17H,4-14H2,1-3H3;14-15H,7-13H2,1-6H3;10-13H,5-9H2,1-4H3;12H,6-11H2,1-5H3;12-13H,5-11H2,1-4H3;11-12H,9-10H2,1-8H3;9-11H,8H2,1-7H3.

What are the key properties of [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate?

[2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate has a molecular weight of 2727.93 g/mol, XLogP of 37.09, 58 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-adamantyl(methoxy)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-3,3-dimethylbutyl) 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;(1-ethoxy-2,2-diethylbutyl) 2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161467062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).