1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane

C187H293N3O38 — CID 158239761

IUPAC1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane
SMILESC.C=C(C)C(C)(C)/C(C)=C(/C)C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C(C)C(C)(C)/C(C)=C(/C)C(C)(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.C=C(C)C(C)(C)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C(C)C(C)(C)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OC(C)OC(=O)C(C)(C)C.CC(=O)OC(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OCc1oc(=O)oc1Cc1ccccc1.CCC.CCC.CCC.CCC.CCCC(=O)C(C)(C)C(=O)OC(C)OC(C)=O.CCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)OC(C)(C)C(C)=O
InChIInChI=1S/C28H43NO4.C27H34O3.C26H45NO4.C25H36O3.C18H31NO5.C16H20O5.C13H12O5.C12H20O5.C9H16O4.4C3H8.CH4/c1-13-29(12)23(31)25(4,5)18-22(30)27(8,9)24(32)33-28(10,11)21-17-15-14-16-20(21)26(6,7)19(2)3;1-19(2)25(3,4)21-16-12-13-17-22(21)27(7,8)30-24(29)26(5,6)23(28)18-20-14-10-9-11-15-20;1-15-27(14)21(29)23(6,7)16-20(28)25(10,11)22(30)31-26(12,13)19(5)18(4)24(8,9)17(2)3;1-17(2)23(5,6)18(3)19(4)25(9,10)28-22(27)24(7,8)21(26)16-20-14-12-11-13-15-20;1-10-19(9)14(22)16(3,4)11-13(21)17(5,6)15(23)24-18(7,8)12(2)20;1-11(17)20-12(2)21-15(19)16(3,4)14(18)10-13-8-6-5-7-9-13;1-9(14)16-8-12-11(17-13(15)18-12)7-10-5-3-2-4-6-10;1-6-7-10(14)12(4,5)11(15)17-9(3)16-8(2)13;1-6(10)12-7(2)13-8(11)9(3,4)5;4*1-3-2;/h14-17H,2,13,18H2,1,3-12H3;9-17H,1,18H2,2-8H3;2,15-16H2,1,3-14H3;11-15H,1,16H2,2-10H3;10-11H2,1-9H3;5-9,12H,10H2,1-4H3;2-6H,7-8H2,1H3;9H,6-7H2,1-5H3;7H,1-5H3;4*3H2,1-2H3;1H4/b;;2*19-18-;;;;;;;;;;
InChIKeyGFKAPZQLQCMOCR-WCLHWSBISA-N
MW3191.38 g/mol
LogP39.96
Rot. Bonds62

About 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane

1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane (PubChem CID 158239761) has the molecular formula C187H293N3O38 and a molecular weight of 3191.38 g/mol. Its IUPAC name is 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane.

Molecular Properties

Compound Name1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane
PubChem CID158239761
Molecular FormulaC187H293N3O38
Molecular Weight3191.38 g/mol
Exact Mass3189.11
IUPAC Name1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane
SMILESC.C=C(C)C(C)(C)/C(C)=C(/C)C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C(C)C(C)(C)/C(C)=C(/C)C(C)(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.C=C(C)C(C)(C)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C(C)C(C)(C)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OC(C)OC(=O)C(C)(C)C.CC(=O)OC(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OCc1oc(=O)oc1Cc1ccccc1.CCC.CCC.CCC.CCC.CCCC(=O)C(C)(C)C(=O)OC(C)OC(C)=O.CCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)OC(C)(C)C(C)=O
InChIInChI=1S/C28H43NO4.C27H34O3.C26H45NO4.C25H36O3.C18H31NO5.C16H20O5.C13H12O5.C12H20O5.C9H16O4.4C3H8.CH4/c1-13-29(12)23(31)25(4,5)18-22(30)27(8,9)24(32)33-28(10,11)21-17-15-14-16-20(21)26(6,7)19(2)3;1-19(2)25(3,4)21-16-12-13-17-22(21)27(7,8)30-24(29)26(5,6)23(28)18-20-14-10-9-11-15-20;1-15-27(14)21(29)23(6,7)16-20(28)25(10,11)22(30)31-26(12,13)19(5)18(4)24(8,9)17(2)3;1-17(2)23(5,6)18(3)19(4)25(9,10)28-22(27)24(7,8)21(26)16-20-14-12-11-13-15-20;1-10-19(9)14(22)16(3,4)11-13(21)17(5,6)15(23)24-18(7,8)12(2)20;1-11(17)20-12(2)21-15(19)16(3,4)14(18)10-13-8-6-5-7-9-13;1-9(14)16-8-12-11(17-13(15)18-12)7-10-5-3-2-4-6-10;1-6-7-10(14)12(4,5)11(15)17-9(3)16-8(2)13;1-6(10)12-7(2)13-8(11)9(3,4)5;4*1-3-2;/h14-17H,2,13,18H2,1,3-12H3;9-17H,1,18H2,2-8H3;2,15-16H2,1,3-14H3;11-15H,1,16H2,2-10H3;10-11H2,1-9H3;5-9,12H,10H2,1-4H3;2-6H,7-8H2,1H3;9H,6-7H2,1-5H3;7H,1-5H3;4*3H2,1-2H3;1H4/b;;2*19-18-;;;;;;;;;;
InChIKeyGFKAPZQLQCMOCR-WCLHWSBISA-N
XLogP39.96
TPSA556.44 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds62
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.38
LogP ≤ 539.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane?
The IUPAC name of 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane (CID 158239761) is 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane.
What is the SMILES notation for 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane?
The canonical SMILES for 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane is C.C=C(C)C(C)(C)/C(C)=C(/C)C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C(C)C(C)(C)/C(C)=C(/C)C(C)(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.C=C(C)C(C)(C)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C(C)C(C)(C)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OC(C)OC(=O)C(C)(C)C.CC(=O)OC(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OCc1oc(=O)oc1Cc1ccccc1.CCC.CCC.CCC.CCC.CCCC(=O)C(C)(C)C(=O)OC(C)OC(C)=O.CCN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)OC(C)(C)C(C)=O.
What is the InChIKey of 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane?
The InChIKey is GFKAPZQLQCMOCR-WCLHWSBISA-N. The full InChI is InChI=1S/C28H43NO4.C27H34O3.C26H45NO4.C25H36O3.C18H31NO5.C16H20O5.C13H12O5.C12H20O5.C9H16O4.4C3H8.CH4/c1-13-29(12)23(31)25(4,5)18-22(30)27(8,9)24(32)33-28(10,11)21-17-15-14-16-20(21)26(6,7)19(2)3;1-19(2)25(3,4)21-16-12-13-17-22(21)27(7,8)30-24(29)26(5,6)23(28)18-20-14-10-9-11-15-20;1-15-27(14)21(29)23(6,7)16-20(28)25(10,11)22(30)31-26(12,13)19(5)18(4)24(8,9)17(2)3;1-17(2)23(5,6)18(3)19(4)25(9,10)28-22(27)24(7,8)21(26)16-20-14-12-11-13-15-20;1-10-19(9)14(22)16(3,4)11-13(21)17(5,6)15(23)24-18(7,8)12(2)20;1-11(17)20-12(2)21-15(19)16(3,4)14(18)10-13-8-6-5-7-9-13;1-9(14)16-8-12-11(17-13(15)18-12)7-10-5-3-2-4-6-10;1-6-7-10(14)12(4,5)11(15)17-9(3)16-8(2)13;1-6(10)12-7(2)13-8(11)9(3,4)5;4*1-3-2;/h14-17H,2,13,18H2,1,3-12H3;9-17H,1,18H2,2-8H3;2,15-16H2,1,3-14H3;11-15H,1,16H2,2-10H3;10-11H2,1-9H3;5-9,12H,10H2,1-4H3;2-6H,7-8H2,1H3;9H,6-7H2,1-5H3;7H,1-5H3;4*3H2,1-2H3;1H4/b;;2*19-18-;;;;;;;;;;.
What are the key properties of 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane?
1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane has a molecular weight of 3191.38 g/mol, XLogP of 39.96, 62 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 2,2-dimethyl-3-oxo-4-phenylbutanoate;2-[2-(2,3-dimethylbut-3-en-2-yl)phenyl]propan-2-yl 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 2,2-dimethyl-3-oxo-4-phenylbutanoate;[(3Z)-2,3,4,5,5,6-hexamethylhepta-3,6-dien-2-yl] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;propane is sourced from PubChem (CID 158239761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).