About 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane
1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane (PubChem CID 158223896) has the molecular formula C216H409N3O42
and a molecular weight of 3720.63 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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane.
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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane (CID 158223896) is 1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.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)c1ccccc1C(C)(C)OC(=O)C(C)(C)C(=O)CC(C)(C)C(=O)N(C)CC.C=C1OC(CC)=C(Cc2ccccc2)O1.CC(=O)OC(C)OC(=O)C(C)(C)C.CC(=O)OC(C)OC(=O)C(C)(C)C(=O)Cc1ccccc1.CC(=O)OCC(=O)Cc1ccccc1.CC(=O)OCc1oc(=O)oc1Cc1ccccc1.CC(C)CC(=O)Cc1ccccc1.CCC.CCC.CCC.CCC.CCC.CCCC(=O)C(C)(C)C(=O)OC(C)OC(C)=O.CCCC(=O)CC(C)C.CCCC(=O)COC(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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane?
The InChIKey is GDOMWJYIHSRLRL-HCECSYOMSA-N. The full InChI is InChI=1S/C28H43NO4.C26H45NO4.C18H31NO5.C16H20O5.C13H12O5.C13H14O2.C12H20O5.C12H16O.C11H12O3.C9H16O4.C8H16O.C7H12O3.5C3H8.28CH4/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;1-15-27(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;1-10-19(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;1-3-12-13(15-10(2)14-12)9-11-7-5-4-6-8-11;1-6-7-10(14)12(4,5)11(15)17-9(3)16-8(2)13;1-10(2)8-12(13)9-11-6-4-3-5-7-11;1-9(12)14-8-11(13)7-10-5-3-2-4-6-10;1-6(10)12-7(2)13-8(11)9(3,4)5;1-4-5-8(9)6-7(2)3;1-3-4-7(9)5-10-6(2)8;5*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h14-17H,2,13,18H2,1,3-12H3;2,15-16H2,1,3-14H3;10-11H2,1-9H3;5-9,12H,10H2,1-4H3;2-6H,7-8H2,1H3;4-8H,2-3,9H2,1H3;9H,6-7H2,1-5H3;3-7,10H,8-9H2,1-2H3;2-6H,7-8H2,1H3;7H,1-5H3;7H,4-6H2,1-3H3;3-5H2,1-2H3;5*3H2,1-2H3;28*1H4/b;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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane?
1-acetyloxyethyl 2,2-dimethyl-3-oxohexanoate;1-acetyloxyethyl 2,2-dimethyl-3-oxo-4-phenylbutanoate;1-acetyloxyethyl 2,2-dimethylpropanoate;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane has a molecular weight of 3720.63 g/mol, XLogP of 57.20, 65 rotatable bonds, 0 hydrogen bond donors, and 42 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;4-benzyl-5-ethyl-2-methylidene-1,3-dioxole;(5-benzyl-2-oxo-1,3-dioxol-4-yl)methyl acetate;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] 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;methane;2-methylheptan-4-one;(2-methyl-3-oxobutan-2-yl) 6-[ethyl(methyl)amino]-2,2,5,5-tetramethyl-3,6-dioxohexanoate;4-methyl-1-phenylpentan-2-one;2-oxopentyl acetate;(2-oxo-3-phenylpropyl) acetate;propane is sourced from PubChem (CID 158223896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).