tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one

C173H246F5O35S15+15 — CID 157194312

IUPACtert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one
SMILESCC(=O)C[S+]1CCOCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC(C)(C)OC(=O)C[S+]1CCOCC1.CC1COCC[S+]1CC(=O)c1ccccc1.CC1C[S+](CC(=O)c2ccccc2)CCO1.CCC(=O)C[S+]1CCOCC1.CCOC(=O)C[S+]1CCOCC1.COc1ccc(C(=O)C[S+]2CCOCC2)cc1.COc1cccc(C(=O)C[S+]2CCOCC2)c1.COc1ccccc1C(=O)C[S+]1CCOCC1.Cc1ccc(C(=O)C[S+]2CCOCC2)cc1.O=C(C[S+]1CCOCC1)C1CCCCC1.O=C(C[S+]1CCOCC1)c1c(F)c(F)c(F)c(F)c1F.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1
InChIInChI=1S/C16H17O2S.3C13H17O3S.3C13H17O2S.C12H10F5O2S.C12H21O2S.C12H15O2S.C10H19O3S.C10H19O2S.C8H15O3S.C8H15O2S.C7H13O2S/c17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;1-15-12-4-2-11(3-5-12)13(14)10-17-8-6-16-7-9-17;1-15-12-4-2-3-11(9-12)13(14)10-17-7-5-16-6-8-17;1-15-13-5-3-2-4-11(13)12(14)10-17-8-6-16-7-9-17;1-11-2-4-12(5-3-11)13(14)10-16-8-6-15-7-9-16;1-11-9-16(8-7-15-11)10-13(14)12-5-3-2-4-6-12;1-11-9-15-7-8-16(11)10-13(14)12-5-3-2-4-6-12;13-8-7(9(14)11(16)12(17)10(8)15)6(18)5-20-3-1-19-2-4-20;2*13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-10(2,3)13-9(11)8-14-6-4-12-5-7-14;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-2-11-8(9)7-12-5-3-10-4-6-12;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h1-6,11H,7-10,12H2;2-5H,6-10H2,1H3;2-4,9H,5-8,10H2,1H3;2-5H,6-10H2,1H3;2-5H,6-10H2,1H3;2*2-6,11H,7-10H2,1H3;1-5H2;11H,1-10H2;1-5H,6-10H2;4-8H2,1-3H3;4-8H2,1-3H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3/q15*+1
InChIKeyAQBHVWWCOOIZAO-UHFFFAOYSA-N
MW3461.83 g/mol
LogP21.67
Rot. Bonds45

About tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one

tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one (PubChem CID 157194312) has the molecular formula C173H246F5O35S15+15 and a molecular weight of 3461.83 g/mol. Its IUPAC name is tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one.

Molecular Properties

Compound Nametert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one
PubChem CID157194312
Molecular FormulaC173H246F5O35S15+15
Molecular Weight3461.83 g/mol
Exact Mass3458.31
IUPAC Nametert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one
SMILESCC(=O)C[S+]1CCOCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC(C)(C)OC(=O)C[S+]1CCOCC1.CC1COCC[S+]1CC(=O)c1ccccc1.CC1C[S+](CC(=O)c2ccccc2)CCO1.CCC(=O)C[S+]1CCOCC1.CCOC(=O)C[S+]1CCOCC1.COc1ccc(C(=O)C[S+]2CCOCC2)cc1.COc1cccc(C(=O)C[S+]2CCOCC2)c1.COc1ccccc1C(=O)C[S+]1CCOCC1.Cc1ccc(C(=O)C[S+]2CCOCC2)cc1.O=C(C[S+]1CCOCC1)C1CCCCC1.O=C(C[S+]1CCOCC1)c1c(F)c(F)c(F)c(F)c1F.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1
InChIInChI=1S/C16H17O2S.3C13H17O3S.3C13H17O2S.C12H10F5O2S.C12H21O2S.C12H15O2S.C10H19O3S.C10H19O2S.C8H15O3S.C8H15O2S.C7H13O2S/c17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;1-15-12-4-2-11(3-5-12)13(14)10-17-8-6-16-7-9-17;1-15-12-4-2-3-11(9-12)13(14)10-17-7-5-16-6-8-17;1-15-13-5-3-2-4-11(13)12(14)10-17-8-6-16-7-9-17;1-11-2-4-12(5-3-11)13(14)10-16-8-6-15-7-9-16;1-11-9-16(8-7-15-11)10-13(14)12-5-3-2-4-6-12;1-11-9-15-7-8-16(11)10-13(14)12-5-3-2-4-6-12;13-8-7(9(14)11(16)12(17)10(8)15)6(18)5-20-3-1-19-2-4-20;2*13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-10(2,3)13-9(11)8-14-6-4-12-5-7-14;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-2-11-8(9)7-12-5-3-10-4-6-12;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h1-6,11H,7-10,12H2;2-5H,6-10H2,1H3;2-4,9H,5-8,10H2,1H3;2-5H,6-10H2,1H3;2-5H,6-10H2,1H3;2*2-6,11H,7-10H2,1H3;1-5H2;11H,1-10H2;1-5H,6-10H2;4-8H2,1-3H3;4-8H2,1-3H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3/q15*+1
InChIKeyAQBHVWWCOOIZAO-UHFFFAOYSA-N
XLogP21.67
TPSA440.65 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003461.83
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2,3-Dihydro-1,4-benzoxathiin-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 157320206
Octakis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);1-(4-tert-butylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thian-1-ium-1-yl)butan-1-one;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylpropan-1-one;2-methyl-1-phenyl-2-(thian-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-phenyl-2-(thian-1-ium-1-yl)ethanone
CID 157325207
Bis(1-adamantylmethyl 2,2-difluoropropanoate);1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;bis(2,2-difluoropropyl adamantane-1-carboxylate);3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;4-(4-propoxynaphthalen-1-yl)-1,4-oxathian-4-ium;2,3,3-trifluorobutyl adamantane-1-carboxylate
CID 157412530
1-(2,3-Dihydro-1,4-benzoxathiin-7-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-phenylbutane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 158426041
1,1-Difluoro-2-[3-(2,3,5-trimethylbenzoyl)oxyadamantane-1-carbonyl]oxypropane-1-sulfonate;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] 2,3,5-trimethylbenzoate;1,1,3,3,3-pentafluoro-2-[5-(2,3,5-trimethylbenzoyl)oxyadamantane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,3,5-trimethylbenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[5-(2,3,5-trimethylbenzoyl)oxynaphthalene-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,3,5-trimethylbenzoyl)oxypropanoyloxy]propane-1-sulfonate
CID 159017007
Octakis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);1-(4-tert-butylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thian-1-ium-1-yl)butan-1-one;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thian-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-phenyl-2-(thian-1-ium-1-yl)ethanone
CID 160602587
3,3-Dimethyl-1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thian-1-ium-1-yl)butan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone
CID 157498374
Tris(carbon dioxide);7-fluorobenzo[b]xanthen-12-one;8-fluorobenzo[b]xanthen-12-one;9-fluorobenzo[b]xanthen-12-one;10-fluorobenzo[b]xanthen-12-one;bis(8-methylbenzo[b]xanthen-12-one);9-methylbenzo[b]xanthen-12-one;methyl 12-oxobenzo[b]xanthene-7-carboxylate;(12-oxobenzo[b]xanthen-7-yl) acetate;(12-oxobenzo[b]xanthen-10-yl) acetate
CID 157785564
1-(4-Butoxy-3-tert-butyl-5-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-(4-butoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-butoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(1,4-dithian-1-ium-1-yl)-1-naphthalen-1-ylethanone;2-(1,4-dithian-1-ium-1-yl)-1-naphthalen-2-ylethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-1-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone
CID 158598492
5-(2-hydroxyprop-2-enyl)-3-(methoxymethyl)-4-methylxanthen-9-one;5-(2-hydroxyprop-2-enyl)-4-methyl-3-(methylsulfanylmethyl)xanthen-9-one;5-(2-hydroxyprop-2-enyl)-4-methyl-3-(3-oxobutyl)xanthen-9-one;[5-(2-hydroxyprop-2-enyl)-4-methyl-9-oxoxanthen-3-yl]methyl acetate;S-[[5-(2-hydroxyprop-2-enyl)-4-methyl-9-oxoxanthen-3-yl]methyl] ethanethioate;5-(2-hydroxyprop-2-enyl)-4-methyl-3-propylxanthen-9-one
CID 159229225
1-(1-Adamantyl)-2-cyclopentyl-2-fluoropropan-1-one;bis(1-(4-butoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);1-cyclohexyl-2-fluoro-2,4-dimethylpentan-3-one;ethyl 3-cyclohexyl-2-fluoro-2-methylpropanoate;ethyl 2,2-dimethylbutanoate;2-fluoro-2-methylpentane;tris(1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one)
CID 161052890

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one?
The IUPAC name of tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one (CID 157194312) is tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one.
What is the SMILES notation for tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one?
The canonical SMILES for tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one is CC(=O)C[S+]1CCOCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC(C)(C)OC(=O)C[S+]1CCOCC1.CC1COCC[S+]1CC(=O)c1ccccc1.CC1C[S+](CC(=O)c2ccccc2)CCO1.CCC(=O)C[S+]1CCOCC1.CCOC(=O)C[S+]1CCOCC1.COc1ccc(C(=O)C[S+]2CCOCC2)cc1.COc1cccc(C(=O)C[S+]2CCOCC2)c1.COc1ccccc1C(=O)C[S+]1CCOCC1.Cc1ccc(C(=O)C[S+]2CCOCC2)cc1.O=C(C[S+]1CCOCC1)C1CCCCC1.O=C(C[S+]1CCOCC1)c1c(F)c(F)c(F)c(F)c1F.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1.
What is the InChIKey of tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one?
The InChIKey is AQBHVWWCOOIZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2S.3C13H17O3S.3C13H17O2S.C12H10F5O2S.C12H21O2S.C12H15O2S.C10H19O3S.C10H19O2S.C8H15O3S.C8H15O2S.C7H13O2S/c17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;1-15-12-4-2-11(3-5-12)13(14)10-17-8-6-16-7-9-17;1-15-12-4-2-3-11(9-12)13(14)10-17-7-5-16-6-8-17;1-15-13-5-3-2-4-11(13)12(14)10-17-8-6-16-7-9-17;1-11-2-4-12(5-3-11)13(14)10-16-8-6-15-7-9-16;1-11-9-16(8-7-15-11)10-13(14)12-5-3-2-4-6-12;1-11-9-15-7-8-16(11)10-13(14)12-5-3-2-4-6-12;13-8-7(9(14)11(16)12(17)10(8)15)6(18)5-20-3-1-19-2-4-20;2*13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-10(2,3)13-9(11)8-14-6-4-12-5-7-14;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-2-11-8(9)7-12-5-3-10-4-6-12;1-2-8(9)7-11-5-3-10-4-6-11;1-7(8)6-10-4-2-9-3-5-10/h1-6,11H,7-10,12H2;2-5H,6-10H2,1H3;2-4,9H,5-8,10H2,1H3;2-5H,6-10H2,1H3;2-5H,6-10H2,1H3;2*2-6,11H,7-10H2,1H3;1-5H2;11H,1-10H2;1-5H,6-10H2;4-8H2,1-3H3;4-8H2,1-3H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3/q15*+1.
What are the key properties of tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one?
tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one has a molecular weight of 3461.83 g/mol, XLogP of 21.67, 45 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-cyclohexyl-2-(1,4-oxathian-4-ium-4-yl)ethanone;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;ethyl 2-(1,4-oxathian-4-ium-4-yl)acetate;1-(2-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(3-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(4-methoxyphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(2-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;2-(3-methyl-1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-(1,4-oxathian-4-ium-4-yl)propan-2-one is sourced from PubChem (CID 157194312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).