tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)

C212H251F10O29S5+5 — CID 158144756

IUPACtris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)
SMILESCC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.CCC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C31H33O3S.2C30H35O3S.C29H33O3S.C28H31O3S.3C14H20F2O2.2C11H12F2O4/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;2*1-4-30(22-12-7-13-23-30)33-28(31)29(2,3)32-24-18-20-27(21-19-24)34(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-29(21-11-12-22-29)32-27(30)28(2,3)31-23-17-19-26(20-18-23)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-2-28(20-10-5-11-21-28)31-27(29)22-30-23-16-18-26(19-17-23)32(24-12-6-3-7-13-24)25-14-8-4-9-15-25;3*1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;2*1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7/h2-15,22-25H,16-21H2,1H3;2*5-6,8-11,14-21H,4,7,12-13,22-23H2,1-3H3;5-10,13-20H,4,11-12,21-22H2,1-3H3;3-4,6-9,12-19H,2,5,10-11,20-22H2,1H3;3*9-11H,2-8H2,1H3;2*4-8H,2-3H2,1H3/q5*+1;;;;;
InChIKeyFUJKNMZEAQXDAG-UHFFFAOYSA-N
MW3613.63 g/mol
LogP48.61
Rot. Bonds52

About tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)

tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate) (PubChem CID 158144756) has the molecular formula C212H251F10O29S5+5 and a molecular weight of 3613.63 g/mol. Its IUPAC name is tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate).

Molecular Properties

Compound Nametris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)
PubChem CID158144756
Molecular FormulaC212H251F10O29S5+5
Molecular Weight3613.63 g/mol
Exact Mass3610.66
IUPAC Nametris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)
SMILESCC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.CCC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C31H33O3S.2C30H35O3S.C29H33O3S.C28H31O3S.3C14H20F2O2.2C11H12F2O4/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;2*1-4-30(22-12-7-13-23-30)33-28(31)29(2,3)32-24-18-20-27(21-19-24)34(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-29(21-11-12-22-29)32-27(30)28(2,3)31-23-17-19-26(20-18-23)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-2-28(20-10-5-11-21-28)31-27(29)22-30-23-16-18-26(19-17-23)32(24-12-6-3-7-13-24)25-14-8-4-9-15-25;3*1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;2*1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7/h2-15,22-25H,16-21H2,1H3;2*5-6,8-11,14-21H,4,7,12-13,22-23H2,1-3H3;5-10,13-20H,4,11-12,21-22H2,1-3H3;3-4,6-9,12-19H,2,5,10-11,20-22H2,1H3;3*9-11H,2-8H2,1H3;2*4-8H,2-3H2,1H3/q5*+1;;;;;
InChIKeyFUJKNMZEAQXDAG-UHFFFAOYSA-N
XLogP48.61
TPSA361.75 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds52
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003613.63
LogP ≤ 548.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate) with MolForge

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Related Compounds

Bis([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate;[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 3-hydroxyadamantane-1-carboxylate;(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 157064491
2-[2-(Adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethanesulfonate;2-[(5,5-dioxo-4-oxa-5lambda6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate;tetrakis(triphenylsulfanium)
CID 157186763
Tris([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methane;(2-methyl-1-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate
CID 157195379
Pentakis([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate;[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 3-hydroxyadamantane-1-carboxylate;(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclohexyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methylcyclohexyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 157250416
Tris([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(4-oxo-2-adamantyl) 2,2-difluoropropanoate
CID 157265636
1,1-Difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;tetrakis(triphenylsulfanium)
CID 157294201
2,2-Difluoro-2-oxidoperoxysulfanylacetic acid;bis([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-chloroacetate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 157294749
3-(2,2-Difluoropropyl)adamantan-1-ol;5-(2,2-difluoropropyl)adamantan-2-one;tris([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 157401149
Bis([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methylcyclohexyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 157405159
Tetrakis([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate
CID 157506972
Sodium;bis((2,2-difluoro-2-oxidoperoxysulfanylethyl) 3-hydroxyadamantane-1-carboxylate);bis([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);chloride
CID 157521248
15-O-(4,4-difluoropentyl) 16-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate;1,1-difluoro-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethanesulfonate;bis([4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium)
CID 157713048

Frequently Asked Questions

What is the IUPAC name of tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)?
The IUPAC name of tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate) (CID 158144756) is tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate).
What is the SMILES notation for tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)?
The canonical SMILES for tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate) is CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.CCC1(OC(=O)C(C)(C)Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.CCC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.
What is the InChIKey of tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)?
The InChIKey is FUJKNMZEAQXDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33O3S.2C30H35O3S.C29H33O3S.C28H31O3S.3C14H20F2O2.2C11H12F2O4/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;2*1-4-30(22-12-7-13-23-30)33-28(31)29(2,3)32-24-18-20-27(21-19-24)34(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-29(21-11-12-22-29)32-27(30)28(2,3)31-23-17-19-26(20-18-23)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-2-28(20-10-5-11-21-28)31-27(29)22-30-23-16-18-26(19-17-23)32(24-12-6-3-7-13-24)25-14-8-4-9-15-25;3*1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;2*1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7/h2-15,22-25H,16-21H2,1H3;2*5-6,8-11,14-21H,4,7,12-13,22-23H2,1-3H3;5-10,13-20H,4,11-12,21-22H2,1-3H3;3-4,6-9,12-19H,2,5,10-11,20-22H2,1H3;3*9-11H,2-8H2,1H3;2*4-8H,2-3H2,1H3/q5*+1;;;;;.
What are the key properties of tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate)?
tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate) has a molecular weight of 3613.63 g/mol, XLogP of 48.61, 52 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-adamantylmethyl 2,2-difluoropropanoate);bis([4-[1-(1-ethylcyclohexyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl]oxyphenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate) is sourced from PubChem (CID 158144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).