cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate

C157H286O38 — CID 161135668

About cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate

cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate (PubChem CID 161135668) has the molecular formula C157H286O38 and a molecular weight of 2781.98 g/mol. Its IUPAC name is cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
• PubChem CID: 161135668
• Molecular Formula: C157H286O38
• Molecular Weight: 2781.98 g/mol
• Exact Mass: 2780.04
• IUPAC Name: cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)OC.CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCOC.CCC(C)(C)C(=O)OCOC1CCCC1.CCC(C)(C)C(=O)OCOC1CCCCC1.CCC(C)(C)C(=O)OCOC1CCCCCC1.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCCOCOC(=O)C(C)(C)CC.CCOC(C)OC(=O)C(C)(C)CC
• InChI: InChI=1S/C20H32O4.C19H30O4.C15H28O3.2C14H26O3.2C13H24O3.C12H22O3.2C10H20O3.C9H18O3.C8H16O3/c1-5-19(3,4)18(22)23-12-17(21)24-20(6-2)15-8-13-7-14(10-15)11-16(20)9-13;1-5-18(2,3)17(21)22-11-16(20)23-19(4)14-7-12-6-13(9-14)10-15(19)8-12;1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-14(2,3)13(15)17-11-16-12-9-7-5-6-8-10-12;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-4-13(2,3)12(14)16-10-15-11-8-6-5-7-9-11;1-4-12(2,3)11(13)15-9-14-10-7-5-6-8-10;1-6-10(4,5)9(11)13-8(3)12-7-2;1-5-7-12-8-13-9(11)10(3,4)6-2;1-6-9(3,4)8(10)12-7(2)11-5;1-5-8(2,3)7(9)11-6-10-4/h13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;5-12H2,1-4H3;2*12H,4-11H2,1-3H3;2*11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;7H,6H2,1-5H3;5-6H2,1-4H3
• InChIKey: UMTKLOSIMQSKOS-UHFFFAOYSA-N
• XLogP: 36.44
• TPSA: 460.50 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 63
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2781.98
LogP ≤ 5	36.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?

The IUPAC name of cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate (CID 161135668) is cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate.

What is the SMILES notation for cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?

The canonical SMILES for cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)OC.CCC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OCOC.CCC(C)(C)C(=O)OCOC1CCCC1.CCC(C)(C)C(=O)OCOC1CCCCC1.CCC(C)(C)C(=O)OCOC1CCCCCC1.CCC(C)(C)C(=O)OCOCC1(C)CCCCC1.CCC(C)(C)C(=O)OCOCC1CCCC1.CCC(C)(C)C(=O)OCOCC1CCCCC1.CCCOCOC(=O)C(C)(C)CC.CCOC(C)OC(=O)C(C)(C)CC.

What is the InChIKey of cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?

The InChIKey is UMTKLOSIMQSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4.C19H30O4.C15H28O3.2C14H26O3.2C13H24O3.C12H22O3.2C10H20O3.C9H18O3.C8H16O3/c1-5-19(3,4)18(22)23-12-17(21)24-20(6-2)15-8-13-7-14(10-15)11-16(20)9-13;1-5-18(2,3)17(21)22-11-16(20)23-19(4)14-7-12-6-13(9-14)10-15(19)8-12;1-5-14(2,3)13(16)18-12-17-11-15(4)9-7-6-8-10-15;1-4-14(2,3)13(15)17-11-16-10-12-8-6-5-7-9-12;1-4-14(2,3)13(15)17-11-16-12-9-7-5-6-8-10-12;1-4-13(2,3)12(14)16-10-15-9-11-7-5-6-8-11;1-4-13(2,3)12(14)16-10-15-11-8-6-5-7-9-11;1-4-12(2,3)11(13)15-9-14-10-7-5-6-8-10;1-6-10(4,5)9(11)13-8(3)12-7-2;1-5-7-12-8-13-9(11)10(3,4)6-2;1-6-9(3,4)8(10)12-7(2)11-5;1-5-8(2,3)7(9)11-6-10-4/h13-16H,5-12H2,1-4H3;12-15H,5-11H2,1-4H3;5-12H2,1-4H3;2*12H,4-11H2,1-3H3;2*11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;8H,6-7H2,1-5H3;5-8H2,1-4H3;7H,6H2,1-5H3;5-6H2,1-4H3.

What are the key properties of cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate?

cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate has a molecular weight of 2781.98 g/mol, XLogP of 36.44, 63 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for cycloheptyloxymethyl 2,2-dimethylbutanoate;cyclohexylmethoxymethyl 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;cyclopentylmethoxymethyl 2,2-dimethylbutanoate;cyclopentyloxymethyl 2,2-dimethylbutanoate;1-ethoxyethyl 2,2-dimethylbutanoate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;1-methoxyethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(1-methylcyclohexyl)methoxymethyl 2,2-dimethylbutanoate;propoxymethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 161135668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).