[2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate

C151H262O30 — CID 159278739

About [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate

[2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 159278739) has the molecular formula C151H262O30 and a molecular weight of 2557.73 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

• Compound Name: [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate
• PubChem CID: 159278739
• Molecular Formula: C151H262O30
• Molecular Weight: 2557.73 g/mol
• Exact Mass: 2555.90
• IUPAC Name: [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate
• SMILES: CC(C)OC(CC(C)(C)C)OC(=O)c1ccc2c(c1)CC(C)C2C.CCC(C)(C)C(=O)OC(C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(OC1CCCCC1)C(C)(C)C.CCC(C)(C)C(=O)OC(OCC(C)(C)C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(CC(C)(C)C)OC(C)C)(C3)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(CC(C)(C)C)OC(C)C)C2.CCC(C)(C)C(=O)OCOC1CCCCC1
• InChI: InChI=1S/C26H44O5.C24H38O7.C21H32O3.C19H34O3.2C17H32O3.C14H26O3.C13H24O3/c1-9-24(7,8)21(27)31-26-13-18-10-19(14-26)12-25(11-18,16-26)22(28)30-20(29-17(2)3)15-23(4,5)6;1-9-23(7,8)19(25)30-17-14-10-15-18(17)31-21(27)24(15,11-14)20(26)29-16(28-13(2)3)12-22(4,5)6;1-13(2)23-19(12-21(5,6)7)24-20(22)16-8-9-18-15(4)14(3)10-17(18)11-16;1-7-19(5,6)17(20)22-16(21-12-18(2,3)4)15-11-13-8-9-14(15)10-13;1-7-17(5,6)14(18)20-15(16(2,3)4)19-13-11-9-8-10-12-13;1-6-17(4,5)16(18)20-15(12-13(2)3)19-14-10-8-7-9-11-14;1-5-14(3,4)13(15)17-11(2)16-12-9-7-6-8-10-12;1-4-13(2,3)12(14)16-10-15-11-8-6-5-7-9-11/h17-20H,9-16H2,1-8H3;13-18H,9-12H2,1-8H3;8-9,11,13-15,19H,10,12H2,1-7H3;13-16H,7-12H2,1-6H3;13,15H,7-12H2,1-6H3;13-15H,6-12H2,1-5H3;11-12H,5-10H2,1-4H3;11H,4-10H2,1-3H3
• InChIKey: KYQIWUPQWLGAOD-UHFFFAOYSA-N
• XLogP: 36.48
• TPSA: 363.14 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 49
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2557.73
LogP ≤ 5	36.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?

The IUPAC name of [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate (CID 159278739) is [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate.

What is the SMILES notation for [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?

The canonical SMILES for [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate is CC(C)OC(CC(C)(C)C)OC(=O)c1ccc2c(c1)CC(C)C2C.CCC(C)(C)C(=O)OC(C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(OC1CCCCC1)C(C)(C)C.CCC(C)(C)C(=O)OC(OCC(C)(C)C)C1CC2CCC1C2.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(CC(C)(C)C)OC(C)C)(C3)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(CC(C)(C)C)OC(C)C)C2.CCC(C)(C)C(=O)OCOC1CCCCC1.

What is the InChIKey of [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?

The InChIKey is KYQIWUPQWLGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O5.C24H38O7.C21H32O3.C19H34O3.2C17H32O3.C14H26O3.C13H24O3/c1-9-24(7,8)21(27)31-26-13-18-10-19(14-26)12-25(11-18,16-26)22(28)30-20(29-17(2)3)15-23(4,5)6;1-9-23(7,8)19(25)30-17-14-10-15-18(17)31-21(27)24(15,11-14)20(26)29-16(28-13(2)3)12-22(4,5)6;1-13(2)23-19(12-21(5,6)7)24-20(22)16-8-9-18-15(4)14(3)10-17(18)11-16;1-7-19(5,6)17(20)22-16(21-12-18(2,3)4)15-11-13-8-9-14(15)10-13;1-7-17(5,6)14(18)20-15(16(2,3)4)19-13-11-9-8-10-12-13;1-6-17(4,5)16(18)20-15(12-13(2)3)19-14-10-8-7-9-11-14;1-5-14(3,4)13(15)17-11(2)16-12-9-7-6-8-10-12;1-4-13(2,3)12(14)16-10-15-11-8-6-5-7-9-11/h17-20H,9-16H2,1-8H3;13-18H,9-12H2,1-8H3;8-9,11,13-15,19H,10,12H2,1-7H3;13-16H,7-12H2,1-6H3;13,15H,7-12H2,1-6H3;13-15H,6-12H2,1-5H3;11-12H,5-10H2,1-4H3;11H,4-10H2,1-3H3.

What are the key properties of [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate?

[2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 2557.73 g/mol, XLogP of 36.48, 49 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [2-bicyclo[2.2.1]heptanyl(2,2-dimethylpropoxy)methyl] 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;1-cyclohexyloxyethyl 2,2-dimethylbutanoate;(1-cyclohexyloxy-3-methylbutyl) 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;(3,3-dimethyl-1-propan-2-yloxybutyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;(3,3-dimethyl-1-propan-2-yloxybutyl) 1,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 159278739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).