[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate

C145H179F29O45 — CID 158084527

IUPAC[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)COCCOC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OCCOC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OCC(=O)OCCOC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OCCOC12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.C=C(C)C(=O)OCC(=O)OCCOC12C(F)(F)C3(O)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.C=C(C)C(=O)OCC(=O)OCCOC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OCCOC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCCOCCOC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H32O5.2C19H28O5.C19H30O4.C18H11F15O5.C18H12F14O6.C16H20O7.C15H18O8/c1-14(2)19(23)25-13-18(22)24-5-6-26-20(3,4)21-10-15-7-16(11-21)9-17(8-15)12-21;1-12(2)18(21)23-11-17(20)22-4-5-24-19(3)15-7-13-6-14(9-15)10-16(19)8-13;1-12(2)18(21)24-17(20)11-22-4-5-23-19(3)15-7-13-6-14(9-15)10-16(19)8-13;1-13(2)18(20)22-6-4-21-5-7-23-19(3)16-9-14-8-15(11-16)12-17(19)10-14;1-6(2)8(35)37-5-7(34)36-3-4-38-12-16(28,29)9(19)13(22,23)10(20,17(12,30)31)15(26,27)11(21,14(9,24)25)18(12,32)33;1-6(2)8(34)37-5-7(33)36-3-4-38-12-16(27,28)9(19)13(21,22)10(20,17(12,29)30)15(25,26)11(35,14(9,23)24)18(12,31)32;1-8(2)15(18)22-7-12(17)20-3-4-21-13-9-5-10-11(6-9)16(19)23-14(10)13;1-7(2)14(17)21-6-10(16)19-3-4-20-12-9-5-8-11(22-9)13(12)23-15(8)18/h15-17H,1,5-13H2,2-4H3;2*13-16H,1,4-11H2,2-3H3;14-17H,1,4-12H2,2-3H3;1,3-5H2,2H3;35H,1,3-5H2,2H3;9-11,13-14H,1,3-7H2,2H3;8-9,11-13H,1,3-6H2,2H3
InChIKeyFNIRXRJEOMSNIV-UHFFFAOYSA-N
MW3192.92 g/mol
LogP20.92
Rot. Bonds58

About [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate

[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate (PubChem CID 158084527) has the molecular formula C145H179F29O45 and a molecular weight of 3192.92 g/mol. Its IUPAC name is [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate
PubChem CID158084527
Molecular FormulaC145H179F29O45
Molecular Weight3192.92 g/mol
Exact Mass3191.13
IUPAC Name[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)COCCOC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OCCOC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OCC(=O)OCCOC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OCCOC12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.C=C(C)C(=O)OCC(=O)OCCOC12C(F)(F)C3(O)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.C=C(C)C(=O)OCC(=O)OCCOC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OCCOC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCCOCCOC1(C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H32O5.2C19H28O5.C19H30O4.C18H11F15O5.C18H12F14O6.C16H20O7.C15H18O8/c1-14(2)19(23)25-13-18(22)24-5-6-26-20(3,4)21-10-15-7-16(11-21)9-17(8-15)12-21;1-12(2)18(21)23-11-17(20)22-4-5-24-19(3)15-7-13-6-14(9-15)10-16(19)8-13;1-12(2)18(21)24-17(20)11-22-4-5-23-19(3)15-7-13-6-14(9-15)10-16(19)8-13;1-13(2)18(20)22-6-4-21-5-7-23-19(3)16-9-14-8-15(11-16)12-17(19)10-14;1-6(2)8(35)37-5-7(34)36-3-4-38-12-16(28,29)9(19)13(22,23)10(20,17(12,30)31)15(26,27)11(21,14(9,24)25)18(12,32)33;1-6(2)8(34)37-5-7(33)36-3-4-38-12-16(27,28)9(19)13(21,22)10(20,17(12,29)30)15(25,26)11(35,14(9,23)24)18(12,31)32;1-8(2)15(18)22-7-12(17)20-3-4-21-13-9-5-10-11(6-9)16(19)23-14(10)13;1-7(2)14(17)21-6-10(16)19-3-4-20-12-9-5-8-11(22-9)13(12)23-15(8)18/h15-17H,1,5-13H2,2-4H3;2*13-16H,1,4-11H2,2-3H3;14-17H,1,4-12H2,2-3H3;1,3-5H2,2H3;35H,1,3-5H2,2H3;9-11,13-14H,1,3-7H2,2H3;8-9,11-13H,1,3-6H2,2H3
InChIKeyFNIRXRJEOMSNIV-UHFFFAOYSA-N
XLogP20.92
TPSA559.63 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds58
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003192.92
LogP ≤ 520.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate (CID 158084527) is [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)COCCOC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OCCOC(C)(C)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OCC(=O)OCCOC1(C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OCC(=O)OCCOC12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.C=C(C)C(=O)OCC(=O)OCCOC12C(F)(F)C3(O)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F.C=C(C)C(=O)OCC(=O)OCCOC1C2CC3C(=O)OC1C3C2.C=C(C)C(=O)OCC(=O)OCCOC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCCOCCOC1(C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate?
The InChIKey is FNIRXRJEOMSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O5.2C19H28O5.C19H30O4.C18H11F15O5.C18H12F14O6.C16H20O7.C15H18O8/c1-14(2)19(23)25-13-18(22)24-5-6-26-20(3,4)21-10-15-7-16(11-21)9-17(8-15)12-21;1-12(2)18(21)23-11-17(20)22-4-5-24-19(3)15-7-13-6-14(9-15)10-16(19)8-13;1-12(2)18(21)24-17(20)11-22-4-5-23-19(3)15-7-13-6-14(9-15)10-16(19)8-13;1-13(2)18(20)22-6-4-21-5-7-23-19(3)16-9-14-8-15(11-16)12-17(19)10-14;1-6(2)8(35)37-5-7(34)36-3-4-38-12-16(28,29)9(19)13(22,23)10(20,17(12,30)31)15(26,27)11(21,14(9,24)25)18(12,32)33;1-6(2)8(34)37-5-7(33)36-3-4-38-12-16(27,28)9(19)13(21,22)10(20,17(12,29)30)15(25,26)11(35,14(9,23)24)18(12,31)32;1-8(2)15(18)22-7-12(17)20-3-4-21-13-9-5-10-11(6-9)16(19)23-14(10)13;1-7(2)14(17)21-6-10(16)19-3-4-20-12-9-5-8-11(22-9)13(12)23-15(8)18/h15-17H,1,5-13H2,2-4H3;2*13-16H,1,4-11H2,2-3H3;14-17H,1,4-12H2,2-3H3;1,3-5H2,2H3;35H,1,3-5H2,2H3;9-11,13-14H,1,3-7H2,2H3;8-9,11-13H,1,3-6H2,2H3.
What are the key properties of [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate?
[2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate has a molecular weight of 3192.92 g/mol, XLogP of 20.92, 58 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(1-adamantyl)propan-2-yloxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]acetyl] 2-methylprop-2-enoate;2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[(2-methyl-2-adamantyl)oxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate;[2-oxo-2-[2-[(2,2,3,4,4,5,6,6,8,8,9,9,10,10-tetradecafluoro-7-hydroxy-1-adamantyl)oxy]ethoxy]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158084527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).