About 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate
1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate (PubChem CID 158872385) has the molecular formula C171H257F18O42+9
and a molecular weight of 3326.86 g/mol. Its IUPAC name is 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate.
Frequently Asked Questions
What is the IUPAC name of 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate?
The IUPAC name of 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate (CID 158872385) is 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate.
What is the SMILES notation for 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate?
The canonical SMILES for 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate is C=C(CC(=O)OCC(C)(F)F)C(=O)OC(C)OC1C2CC3CC(C2)CC1C3.C=C(CC(=O)OCC(C)(F)F)C(=O)OC(C)OC1CCCCC1.C=C(CC(=O)OCC(C)(F)F)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(CC(=O)OCC(C)(F)F)C(=O)OC1(C(C)C)CCCC1.C=C(CC(=O)OCC(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(CC(=O)OCC(C)(F)F)C(=O)OC1(CC)CCCC1.C=C(CC(=O)OCC(C)(F)F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(CC(=O)OCC(C)(F)F)C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(CC(=O)OCC(C)(F)F)C(=O)OCOC1CCCCC1.[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].
What is the InChIKey of 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate?
The InChIKey is JBZVKPXFTCTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2O6.C21H30F2O4.C20H28F2O5.C19H26F2O5.C19H26F2O4.C16H24F2O5.C16H24F2O4.C15H22F2O5.C15H22F2O4.9CH3/c1-12(4-17(24)28-11-20(2,22)23)19(26)27-10-18(25)29-21(3)15-6-13-5-14(8-15)9-16(21)7-13;1-12(2)21(16-7-14-6-15(9-16)10-17(21)8-14)27-19(25)13(3)5-18(24)26-11-20(4,22)23;1-11(4-17(23)25-10-20(3,21)22)19(24)27-12(2)26-18-15-6-13-5-14(8-15)9-16(18)7-13;1-11(3-16(22)24-9-19(2,20)21)18(23)26-10-25-17-14-5-12-4-13(7-14)8-15(17)6-12;1-11(4-16(22)24-10-18(2,20)21)17(23)25-19(3)14-6-12-5-13(8-14)9-15(19)7-12;1-11(9-14(19)21-10-16(3,17)18)15(20)23-12(2)22-13-7-5-4-6-8-13;1-11(2)16(7-5-6-8-16)22-14(20)12(3)9-13(19)21-10-15(4,17)18;1-11(8-13(18)20-9-15(2,16)17)14(19)22-10-21-12-6-4-3-5-7-12;1-4-15(7-5-6-8-15)21-13(19)11(2)9-12(18)20-10-14(3,16)17;;;;;;;;;/h13-16H,1,4-11H2,2-3H3;12,14-17H,3,5-11H2,1-2,4H3;12-16,18H,1,4-10H2,2-3H3;12-15,17H,1,3-10H2,2H3;12-15H,1,4-10H2,2-3H3;12-13H,1,4-10H2,2-3H3;11H,3,5-10H2,1-2,4H3;12H,1,3-10H2,2H3;2,4-10H2,1,3H3;9*1H3/q;;;;;;;;;9*+1.
What are the key properties of 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate?
1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate has a molecular weight of 3326.86 g/mol, XLogP of 36.62, 67 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[1-(2-adamantyloxy)ethyl] 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(2-adamantyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;carbanylium;1-O-(1-cyclohexyloxyethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;1-O-(cyclohexyloxymethyl) 4-O-(2,2-difluoropropyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-methyl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(2-propan-2-yl-2-adamantyl) 2-methylidenebutanedioate;4-O-(2,2-difluoropropyl) 1-O-(1-propan-2-ylcyclopentyl) 2-methylidenebutanedioate is sourced from PubChem (CID 158872385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).