1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate

C151H276O35 — CID 157267700

IUPAC1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C2CC3CCC2C3)CCCCC1.CCC(C)C(=O)OC(OC)C(C)C.CCC(C)C(=O)OC(OC)C(CC)CC.CCC(C)C(=O)OC(OC)C1CCCC1.CCC(C)C(=O)OC(OC)C1CCCCC1.CCC(C)C(=O)OCOC.CCC(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.CCC(C)C(=O)OCOC1CCCCC1.CCC(C)C(=O)OCOCC12CC3CC(CC(C3)C1)C2.CCOC(OC(=O)C(C)CC)C(C)C.CCOC(OC(=O)C(C)CC)C1CCCCC1.CCOCOC(=O)C(C)CC
InChIInChI=1S/C19H32O2.C17H28O3.C16H26O3.C14H26O3.C13H24O3.2C12H22O3.C12H24O3.C11H22O3.C10H20O3.C8H16O3.C7H14O3/c1-4-18(2,3)17(20)21-19(10-6-5-7-11-19)16-13-14-8-9-15(16)12-14;1-3-12(2)16(18)20-11-19-10-17-7-13-4-14(8-17)6-15(5-13)9-17;1-3-10(2)16(17)19-9-18-15-13-5-11-4-12(7-13)8-14(15)6-11;1-4-11(3)13(15)17-14(16-5-2)12-9-7-6-8-10-12;1-4-10(2)12(14)16-13(15-3)11-8-6-5-7-9-11;1-4-9(2)11(13)15-12(14-3)10-7-5-6-8-10;1-3-10(2)12(13)15-9-14-11-7-5-4-6-8-11;1-6-9(4)11(13)15-12(14-5)10(7-2)8-3;1-6-9(5)10(12)14-11(8(3)4)13-7-2;1-6-8(4)9(11)13-10(12-5)7(2)3;1-4-7(3)8(9)11-6-10-5-2;1-4-6(2)7(8)10-5-9-3/h14-16H,4-13H2,1-3H3;12-15H,3-11H2,1-2H3;10-15H,3-9H2,1-2H3;11-12,14H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;9-10,12H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;9-10,12H,6-8H2,1-5H3;8-9,11H,6-7H2,1-5H3;7-8,10H,6H2,1-5H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyAYEKYGBZGGDCNP-UHFFFAOYSA-N
MW2651.83 g/mol
LogP35.05
Rot. Bonds63

About 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate

1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate (PubChem CID 157267700) has the molecular formula C151H276O35 and a molecular weight of 2651.83 g/mol. Its IUPAC name is 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate.

Molecular Properties

Compound Name1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate
PubChem CID157267700
Molecular FormulaC151H276O35
Molecular Weight2651.83 g/mol
Exact Mass2649.98
IUPAC Name1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C2CC3CCC2C3)CCCCC1.CCC(C)C(=O)OC(OC)C(C)C.CCC(C)C(=O)OC(OC)C(CC)CC.CCC(C)C(=O)OC(OC)C1CCCC1.CCC(C)C(=O)OC(OC)C1CCCCC1.CCC(C)C(=O)OCOC.CCC(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.CCC(C)C(=O)OCOC1CCCCC1.CCC(C)C(=O)OCOCC12CC3CC(CC(C3)C1)C2.CCOC(OC(=O)C(C)CC)C(C)C.CCOC(OC(=O)C(C)CC)C1CCCCC1.CCOCOC(=O)C(C)CC
InChIInChI=1S/C19H32O2.C17H28O3.C16H26O3.C14H26O3.C13H24O3.2C12H22O3.C12H24O3.C11H22O3.C10H20O3.C8H16O3.C7H14O3/c1-4-18(2,3)17(20)21-19(10-6-5-7-11-19)16-13-14-8-9-15(16)12-14;1-3-12(2)16(18)20-11-19-10-17-7-13-4-14(8-17)6-15(5-13)9-17;1-3-10(2)16(17)19-9-18-15-13-5-11-4-12(7-13)8-14(15)6-11;1-4-11(3)13(15)17-14(16-5-2)12-9-7-6-8-10-12;1-4-10(2)12(14)16-13(15-3)11-8-6-5-7-9-11;1-4-9(2)11(13)15-12(14-3)10-7-5-6-8-10;1-3-10(2)12(13)15-9-14-11-7-5-4-6-8-11;1-6-9(4)11(13)15-12(14-5)10(7-2)8-3;1-6-9(5)10(12)14-11(8(3)4)13-7-2;1-6-8(4)9(11)13-10(12-5)7(2)3;1-4-7(3)8(9)11-6-10-5-2;1-4-6(2)7(8)10-5-9-3/h14-16H,4-13H2,1-3H3;12-15H,3-11H2,1-2H3;10-15H,3-9H2,1-2H3;11-12,14H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;9-10,12H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;9-10,12H,6-8H2,1-5H3;8-9,11H,6-7H2,1-5H3;7-8,10H,6H2,1-5H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyAYEKYGBZGGDCNP-UHFFFAOYSA-N
XLogP35.05
TPSA417.13 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds63
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.83
LogP ≤ 535.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

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'}

Analyze 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate
CID 160577369
1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methane;methoxymethyl 2-methylbutanoate
CID 160502614
1-adamantylmethoxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2,2-dimethylbutanoate;[cyclohexyl(methoxy)methyl] 2,2-dimethylbutanoate;cyclohexyloxymethyl 2,2-dimethylbutanoate;ethoxymethyl 2,2-dimethylbutanoate;methoxymethyl 2,2-dimethylbutanoate
CID 161408887
bis(1-adamantylmethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate);cyclohexyloxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 160929816
[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2,2-dimethylbutanoate;(1-cyclohexylcyclohexyl) 2,2-dimethylbutanoate;(1-cyclohexylcyclopentyl) 2,2-dimethylbutanoate;(1-cyclopentylcyclohexyl) 2,2-dimethylbutanoate
CID 162255699
1-adamantylmethoxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2,2-dimethylbutanoate;methane
CID 158367897
1-adamantylmethoxymethyl 10-(2,2-dimethylbutanoyloxy)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;2-bicyclo[2.2.1]heptanylmethoxymethyl 10-(2,2-dimethylbutanoyloxy)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;cyclohexyloxymethyl 10-(2,2-dimethylbutanoyloxy)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methane
CID 159143207
[1-(2-bicyclo[2.2.1]heptanyl)cyclopentyl] 2-methylbutanoate
CID 21131318
2-adamantyloxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;2-adamantyloxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;ethoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methane;methoxymethyl 6-(2,2-dimethylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate;methoxymethyl 6-(2-methylbutanoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 158752511
1-adamantylmethoxymethyl 10-(2,2-dimethylbutanoyloxy)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;1-adamantylmethoxymethyl 10-(2-methylbutanoyloxy)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 162094763
1-adamantylmethoxymethyl 2,2-dimethylbutanoate;1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methyl-2-(trifluoromethyl)butanoate;methane;(4-oxo-2-adamantyl)oxymethyl 2,2-dimethylbutanoate;(4-oxo-2-adamantyl)oxymethyl 2-methylbutanoate
CID 159074973
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

Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate?
The IUPAC name of 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate (CID 157267700) is 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate.
What is the SMILES notation for 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate?
The canonical SMILES for 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate is CCC(C)(C)C(=O)OC1(C2CC3CCC2C3)CCCCC1.CCC(C)C(=O)OC(OC)C(C)C.CCC(C)C(=O)OC(OC)C(CC)CC.CCC(C)C(=O)OC(OC)C1CCCC1.CCC(C)C(=O)OC(OC)C1CCCCC1.CCC(C)C(=O)OCOC.CCC(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.CCC(C)C(=O)OCOC1CCCCC1.CCC(C)C(=O)OCOCC12CC3CC(CC(C3)C1)C2.CCOC(OC(=O)C(C)CC)C(C)C.CCOC(OC(=O)C(C)CC)C1CCCCC1.CCOCOC(=O)C(C)CC.
What is the InChIKey of 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate?
The InChIKey is AYEKYGBZGGDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2.C17H28O3.C16H26O3.C14H26O3.C13H24O3.2C12H22O3.C12H24O3.C11H22O3.C10H20O3.C8H16O3.C7H14O3/c1-4-18(2,3)17(20)21-19(10-6-5-7-11-19)16-13-14-8-9-15(16)12-14;1-3-12(2)16(18)20-11-19-10-17-7-13-4-14(8-17)6-15(5-13)9-17;1-3-10(2)16(17)19-9-18-15-13-5-11-4-12(7-13)8-14(15)6-11;1-4-11(3)13(15)17-14(16-5-2)12-9-7-6-8-10-12;1-4-10(2)12(14)16-13(15-3)11-8-6-5-7-9-11;1-4-9(2)11(13)15-12(14-3)10-7-5-6-8-10;1-3-10(2)12(13)15-9-14-11-7-5-4-6-8-11;1-6-9(4)11(13)15-12(14-5)10(7-2)8-3;1-6-9(5)10(12)14-11(8(3)4)13-7-2;1-6-8(4)9(11)13-10(12-5)7(2)3;1-4-7(3)8(9)11-6-10-5-2;1-4-6(2)7(8)10-5-9-3/h14-16H,4-13H2,1-3H3;12-15H,3-11H2,1-2H3;10-15H,3-9H2,1-2H3;11-12,14H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;9-10,12H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;9-10,12H,6-8H2,1-5H3;8-9,11H,6-7H2,1-5H3;7-8,10H,6H2,1-5H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate?
1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate has a molecular weight of 2651.83 g/mol, XLogP of 35.05, 63 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[1-(2-bicyclo[2.2.1]heptanyl)cyclohexyl] 2,2-dimethylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methoxymethyl 2-methylbutanoate;(1-methoxy-2-methylpropyl) 2-methylbutanoate is sourced from PubChem (CID 157267700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).