[2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate

C134H189F35O37 — CID 158364814

IUPAC[2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate
SMILESC=C(C(=O)OCC1(C)OC(C)OC(OC(C)OC2CCCCC2)(C(F)(F)F)C1(F)F)C(F)(F)F.C=C(F)C(=O)OC(C1CCCCC1)C1(C)OCOC(OC(CC)OC)(C(F)(F)F)C1(F)F.C=C(F)C(=O)OCC1(C)OC(C23CC4CC(CC(C4)C2)C3)OC(OC(C)OCCOC)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C(C)(C)C)OC(OCOC2C3CC4CC(C3)CC2C4)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C)(C)OC(OC(OC)C(C)C)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C2CCCCC2)OC(OCOC2CC(C)CCC2C(C)C)(C(F)(F)F)C1(F)F
InChIInChI=1S/C27H41F5O6.C25H34F6O7.C25H35F5O6.C20H26F8O6.C20H28F6O6.C17H25F5O6/c1-6-22(33)34-15-24(5)25(28,29)26(27(30,31)32,38-23(37-24)19-10-8-7-9-11-19)36-16-35-21-14-18(4)12-13-20(21)17(2)3;1-14(26)19(32)35-13-21(3)23(27,28)24(25(29,30)31,36-15(2)34-6-5-33-4)38-20(37-21)22-10-16-7-17(11-22)9-18(8-16)12-22;1-6-18(31)32-12-22(5)23(26,27)24(25(28,29)30,36-20(35-22)21(2,3)4)34-13-33-19-16-8-14-7-15(10-16)11-17(19)9-14;1-11(17(21,22)23)15(29)30-10-16(4)18(24,25)19(20(26,27)28,34-13(3)32-16)33-12(2)31-14-8-6-5-7-9-14;1-5-14(28-4)32-19(20(24,25)26)18(22,23)17(3,29-11-30-19)15(31-16(27)12(2)21)13-9-7-6-8-10-13;1-8-11(23)25-9-14(6)15(18,19)16(17(20,21)22,28-13(4,5)27-14)26-12(24-7)10(2)3/h6,17-21,23H,1,7-16H2,2-5H3;15-18,20H,1,5-13H2,2-4H3;6,14-17,19-20H,1,7-13H2,2-5H3;12-14H,1,5-10H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;8,10,12H,1,9H2,2-7H3
InChIKeyGTXCZGAMRLSEOU-UHFFFAOYSA-N
MW3056.88 g/mol
LogP31.88
Rot. Bonds48

About [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate

[2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate (PubChem CID 158364814) has the molecular formula C134H189F35O37 and a molecular weight of 3056.88 g/mol. Its IUPAC name is [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate
PubChem CID158364814
Molecular FormulaC134H189F35O37
Molecular Weight3056.88 g/mol
Exact Mass3055.23
IUPAC Name[2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate
SMILESC=C(C(=O)OCC1(C)OC(C)OC(OC(C)OC2CCCCC2)(C(F)(F)F)C1(F)F)C(F)(F)F.C=C(F)C(=O)OC(C1CCCCC1)C1(C)OCOC(OC(CC)OC)(C(F)(F)F)C1(F)F.C=C(F)C(=O)OCC1(C)OC(C23CC4CC(CC(C4)C2)C3)OC(OC(C)OCCOC)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C(C)(C)C)OC(OCOC2C3CC4CC(C3)CC2C4)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C)(C)OC(OC(OC)C(C)C)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C2CCCCC2)OC(OCOC2CC(C)CCC2C(C)C)(C(F)(F)F)C1(F)F
InChIInChI=1S/C27H41F5O6.C25H34F6O7.C25H35F5O6.C20H26F8O6.C20H28F6O6.C17H25F5O6/c1-6-22(33)34-15-24(5)25(28,29)26(27(30,31)32,38-23(37-24)19-10-8-7-9-11-19)36-16-35-21-14-18(4)12-13-20(21)17(2)3;1-14(26)19(32)35-13-21(3)23(27,28)24(25(29,30)31,36-15(2)34-6-5-33-4)38-20(37-21)22-10-16-7-17(11-22)9-18(8-16)12-22;1-6-18(31)32-12-22(5)23(26,27)24(25(28,29)30,36-20(35-22)21(2,3)4)34-13-33-19-16-8-14-7-15(10-16)11-17(19)9-14;1-11(17(21,22)23)15(29)30-10-16(4)18(24,25)19(20(26,27)28,34-13(3)32-16)33-12(2)31-14-8-6-5-7-9-14;1-5-14(28-4)32-19(20(24,25)26)18(22,23)17(3,29-11-30-19)15(31-16(27)12(2)21)13-9-7-6-8-10-13;1-8-11(23)25-9-14(6)15(18,19)16(17(20,21)22,28-13(4,5)27-14)26-12(24-7)10(2)3/h6,17-21,23H,1,7-16H2,2-5H3;15-18,20H,1,5-13H2,2-4H3;6,14-17,19-20H,1,7-13H2,2-5H3;12-14H,1,5-10H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;8,10,12H,1,9H2,2-7H3
InChIKeyGTXCZGAMRLSEOU-UHFFFAOYSA-N
XLogP31.88
TPSA388.55 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds48
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003056.88
LogP ≤ 531.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate?
The IUPAC name of [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate (CID 158364814) is [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate.
What is the SMILES notation for [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate?
The canonical SMILES for [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate is C=C(C(=O)OCC1(C)OC(C)OC(OC(C)OC2CCCCC2)(C(F)(F)F)C1(F)F)C(F)(F)F.C=C(F)C(=O)OC(C1CCCCC1)C1(C)OCOC(OC(CC)OC)(C(F)(F)F)C1(F)F.C=C(F)C(=O)OCC1(C)OC(C23CC4CC(CC(C4)C2)C3)OC(OC(C)OCCOC)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C(C)(C)C)OC(OCOC2C3CC4CC(C3)CC2C4)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C)(C)OC(OC(OC)C(C)C)(C(F)(F)F)C1(F)F.C=CC(=O)OCC1(C)OC(C2CCCCC2)OC(OCOC2CC(C)CCC2C(C)C)(C(F)(F)F)C1(F)F.
What is the InChIKey of [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate?
The InChIKey is GTXCZGAMRLSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41F5O6.C25H34F6O7.C25H35F5O6.C20H26F8O6.C20H28F6O6.C17H25F5O6/c1-6-22(33)34-15-24(5)25(28,29)26(27(30,31)32,38-23(37-24)19-10-8-7-9-11-19)36-16-35-21-14-18(4)12-13-20(21)17(2)3;1-14(26)19(32)35-13-21(3)23(27,28)24(25(29,30)31,36-15(2)34-6-5-33-4)38-20(37-21)22-10-16-7-17(11-22)9-18(8-16)12-22;1-6-18(31)32-12-22(5)23(26,27)24(25(28,29)30,36-20(35-22)21(2,3)4)34-13-33-19-16-8-14-7-15(10-16)11-17(19)9-14;1-11(17(21,22)23)15(29)30-10-16(4)18(24,25)19(20(26,27)28,34-13(3)32-16)33-12(2)31-14-8-6-5-7-9-14;1-5-14(28-4)32-19(20(24,25)26)18(22,23)17(3,29-11-30-19)15(31-16(27)12(2)21)13-9-7-6-8-10-13;1-8-11(23)25-9-14(6)15(18,19)16(17(20,21)22,28-13(4,5)27-14)26-12(24-7)10(2)3/h6,17-21,23H,1,7-16H2,2-5H3;15-18,20H,1,5-13H2,2-4H3;6,14-17,19-20H,1,7-13H2,2-5H3;12-14H,1,5-10H2,2-4H3;13-15H,2,5-11H2,1,3-4H3;8,10,12H,1,9H2,2-7H3.
What are the key properties of [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate?
[2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate has a molecular weight of 3056.88 g/mol, XLogP of 31.88, 48 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-5,5-difluoro-6-[1-(2-methoxyethoxy)ethoxy]-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-fluoroprop-2-enoate;[6-(2-adamantyloxymethoxy)-2-tert-butyl-5,5-difluoro-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[cyclohexyl-[5,5-difluoro-6-(1-methoxypropoxy)-4-methyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl] 2-fluoroprop-2-enoate;[2-cyclohexyl-5,5-difluoro-4-methyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate;[6-(1-cyclohexyloxyethoxy)-5,5-difluoro-2,4-dimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl 2-(trifluoromethyl)prop-2-enoate;[5,5-difluoro-6-(1-methoxy-2-methylpropoxy)-2,2,4-trimethyl-6-(trifluoromethyl)-1,3-dioxan-4-yl]methyl prop-2-enoate is sourced from PubChem (CID 158364814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).