1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)

C132H167F12NO13S5+4 — CID 158275521

About 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)

1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium) (PubChem CID 158275521) has the molecular formula C132H167F12NO13S5+4 and a molecular weight of 2364.09 g/mol. Its IUPAC name is 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)
• PubChem CID: 158275521
• Molecular Formula: C132H167F12NO13S5+4
• Molecular Weight: 2364.09 g/mol
• Exact Mass: 2362.08
• IUPAC Name: 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)
• SMILES: CC(C)(C)C(C(=O)c1ccc2c(c1)OCCO2)[S+]1CCOCC1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)COC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)COC(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)CCC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCOCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/C21H27O2S.C18H25O4S.2C18H15S.C15H21F3O2.C15H22F2O3.C14H23F.C13H19F6NO2S/c1-2-6-17(7-3-1)16-23-20-10-11-21(24-14-12-22-13-15-24)19-9-5-4-8-18(19)20;1-18(2,3)17(23-10-8-20-9-11-23)16(19)13-4-5-14-15(12-13)22-7-6-21-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(17,18)12(16)8-20-13(19)15-5-9-2-10(6-15)4-11(3-9)7-15;1-14(16,17)8-19-13(18)20-9-15-5-10-2-11(6-15)4-12(3-10)7-15;1-10(15)2-3-14-7-11-4-12(8-14)6-13(5-11)9-14;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20/h4-5,8-11,17H,1-3,6-7,12-16H2;4-5,12,17H,6-11H2,1-3H3;2*1-15H;9-12H,2-8H2,1H3;10-12H,2-9H2,1H3;10-13H,2-9H2,1H3;9-10H,2-8H2,1H3/q4*+1
• InChIKey: GJOFBZFVZFIOEE-UHFFFAOYSA-N
• XLogP: 32.88
• TPSA: 162.43 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.09
LogP ≤ 5	32.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)?

The IUPAC name of 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium) (CID 158275521) is 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium).

What is the SMILES notation for 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)?

The canonical SMILES for 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium) is CC(C)(C)C(C(=O)c1ccc2c(c1)OCCO2)[S+]1CCOCC1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)COC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)COC(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)CCC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCOCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)?

The InChIKey is GJOFBZFVZFIOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O2S.C18H25O4S.2C18H15S.C15H21F3O2.C15H22F2O3.C14H23F.C13H19F6NO2S/c1-2-6-17(7-3-1)16-23-20-10-11-21(24-14-12-22-13-15-24)19-9-5-4-8-18(19)20;1-18(2,3)17(23-10-8-20-9-11-23)16(19)13-4-5-14-15(12-13)22-7-6-21-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(17,18)12(16)8-20-13(19)15-5-9-2-10(6-15)4-11(3-9)7-15;1-14(16,17)8-19-13(18)20-9-15-5-10-2-11(6-15)4-12(3-10)7-15;1-10(15)2-3-14-7-11-4-12(8-14)6-13(5-11)9-14;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20/h4-5,8-11,17H,1-3,6-7,12-16H2;4-5,12,17H,6-11H2,1-3H3;2*1-15H;9-12H,2-8H2,1H3;10-12H,2-9H2,1H3;10-13H,2-9H2,1H3;9-10H,2-8H2,1H3/q4*+1;;;;.

What are the key properties of 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)?

1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium) has a molecular weight of 2364.09 g/mol, XLogP of 32.88, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylmethyl 2,2-difluoropropyl carbonate;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(3-fluorobutyl)adamantane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium) is sourced from PubChem (CID 158275521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).