cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one

C266H454O27S24+24 — CID 158545836

IUPACcyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one
SMILESCC(=O)C[S+](C)C.CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CCC(=O)C[S+]1CCCC1.CCC(=O)C[S+]1CCCCC1.CCC(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](C1CCCCC1)C1CCCCC1=O.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)C1CCCCC1=O.C[S+](C)CC(=O)c1ccccc1.C[S+](C1CCCC1)C1CCCCC1=O.C[S+](C1CCCCC1)C1CCCC1=O.C[S+](C1CCCCC1)C1CCCCC1=O.C[S+](c1ccccc1)C1CCCCC1=O.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1CCCCC1[S+](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31OS.C16H25OS.C14H25OS.C14H29OS.C13H23OS.2C13H17OS.C12H15O2S.2C12H21OS.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.2C8H15OS.C7H13OS.C7H15OS.C5H11OS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15;1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;2*1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-14(10-6-2-3-7-10)12-9-5-4-8-11(12)13;1-14(10-6-3-2-4-7-10)12-9-5-8-11(12)13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9;1-2-9(10)8-11-6-4-3-5-7-11;1-2-8(9)7-11-5-3-10-4-6-11;1-10(2)8-6-4-3-5-7(8)9;1-2-8(9)7-10-5-3-4-6-10;1-7(8)6-9-4-2-3-5-9;1-4-9(5-2)6-7(3)8;1-5(6)4-7(2)3/h15-16,18H,1-14H2;7-11H,3-6,12-14H2,1-2H3;12,14H,2-11H2,1H3;6-12H2,1-5H3;11,13H,2-10H2,1H3;2-4,7-8,13H,5-6,9-10H2,1H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;2*10,12H,2-9H2,1H3;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;3-7H,8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;8H,3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;4-6H2,1-3H3;4H2,1-3H3/q24*+1
InChIKeyHPCDOFCURNMFPM-UHFFFAOYSA-N
MW4854.14 g/mol
LogP54.83
Rot. Bonds81

About cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one

cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one (PubChem CID 158545836) has the molecular formula C266H454O27S24+24 and a molecular weight of 4854.14 g/mol. Its IUPAC name is cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one.

Molecular Properties

Compound Namecyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one
PubChem CID158545836
Molecular FormulaC266H454O27S24+24
Molecular Weight4854.14 g/mol
Exact Mass4848.73
IUPAC Namecyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one
SMILESCC(=O)C[S+](C)C.CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CCC(=O)C[S+]1CCCC1.CCC(=O)C[S+]1CCCCC1.CCC(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](C1CCCCC1)C1CCCCC1=O.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)C1CCCCC1=O.C[S+](C)CC(=O)c1ccccc1.C[S+](C1CCCC1)C1CCCCC1=O.C[S+](C1CCCCC1)C1CCCC1=O.C[S+](C1CCCCC1)C1CCCCC1=O.C[S+](c1ccccc1)C1CCCCC1=O.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1CCCCC1[S+](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31OS.C16H25OS.C14H25OS.C14H29OS.C13H23OS.2C13H17OS.C12H15O2S.2C12H21OS.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.2C8H15OS.C7H13OS.C7H15OS.C5H11OS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15;1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;2*1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-14(10-6-2-3-7-10)12-9-5-4-8-11(12)13;1-14(10-6-3-2-4-7-10)12-9-5-8-11(12)13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9;1-2-9(10)8-11-6-4-3-5-7-11;1-2-8(9)7-11-5-3-10-4-6-11;1-10(2)8-6-4-3-5-7(8)9;1-2-8(9)7-10-5-3-4-6-10;1-7(8)6-9-4-2-3-5-9;1-4-9(5-2)6-7(3)8;1-5(6)4-7(2)3/h15-16,18H,1-14H2;7-11H,3-6,12-14H2,1-2H3;12,14H,2-11H2,1H3;6-12H2,1-5H3;11,13H,2-10H2,1H3;2-4,7-8,13H,5-6,9-10H2,1H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;2*10,12H,2-9H2,1H3;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;3-7H,8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;8H,3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;4-6H2,1-3H3;4H2,1-3H3/q24*+1
InChIKeyHPCDOFCURNMFPM-UHFFFAOYSA-N
XLogP54.83
TPSA437.37 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds81
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004854.14
LogP ≤ 554.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The IUPAC name of cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one (CID 158545836) is cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one.
What is the SMILES notation for cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The canonical SMILES for cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one is CC(=O)C[S+](C)C.CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CCC(=O)C[S+]1CCCC1.CCC(=O)C[S+]1CCCCC1.CCC(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](C1CCCCC1)C1CCCCC1=O.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)C1CCCCC1=O.C[S+](C)CC(=O)c1ccccc1.C[S+](C1CCCC1)C1CCCCC1=O.C[S+](C1CCCCC1)C1CCCC1=O.C[S+](C1CCCCC1)C1CCCCC1=O.C[S+](c1ccccc1)C1CCCCC1=O.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1CCCCC1[S+](C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The InChIKey is HPCDOFCURNMFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31OS.C16H25OS.C14H25OS.C14H29OS.C13H23OS.2C13H17OS.C12H15O2S.2C12H21OS.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.2C8H15OS.C7H13OS.C7H15OS.C5H11OS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15;1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;2*1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-14(10-6-2-3-7-10)12-9-5-4-8-11(12)13;1-14(10-6-3-2-4-7-10)12-9-5-8-11(12)13;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9;1-2-9(10)8-11-6-4-3-5-7-11;1-2-8(9)7-11-5-3-10-4-6-11;1-10(2)8-6-4-3-5-7(8)9;1-2-8(9)7-10-5-3-4-6-10;1-7(8)6-9-4-2-3-5-9;1-4-9(5-2)6-7(3)8;1-5(6)4-7(2)3/h15-16,18H,1-14H2;7-11H,3-6,12-14H2,1-2H3;12,14H,2-11H2,1H3;6-12H2,1-5H3;11,13H,2-10H2,1H3;2-4,7-8,13H,5-6,9-10H2,1H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;2*10,12H,2-9H2,1H3;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;3-7H,8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;8H,3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;4-6H2,1-3H3;4H2,1-3H3/q24*+1.
What are the key properties of cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one?
cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one has a molecular weight of 4854.14 g/mol, XLogP of 54.83, 81 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one is sourced from PubChem (CID 158545836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).