2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)

C133H175F2N4O27S3+ — CID 162208386

About 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)

2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium) (PubChem CID 162208386) has the molecular formula C133H175F2N4O27S3+ and a molecular weight of 2396.06 g/mol. Its IUPAC name is 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)
• PubChem CID: 162208386
• Molecular Formula: C133H175F2N4O27S3+
• Molecular Weight: 2396.06 g/mol
• Exact Mass: 2394.16
• IUPAC Name: 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)
• SMILES: C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.CC(F)(F)COC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(=O)OCCS(=O)(=O)[O-].CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15S.C17H24F2N4O7S.C17H28O3.C16H26O3.C15H22O3.C14H20O3.C10H16O4.C8H10O4/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(10-20,6-4-13(24)29-8-9-31(26,27)28)22-23-16(2,11-21)7-5-14(25)30-12-17(3,18)19;1-4-17(2,3)16(18)20-10-19-15-13-6-11-5-12(8-13)9-14(15)7-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-9(2)15(16)18-8-17-14-12-4-10-3-11(6-12)7-13(14)5-10;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-5(2)7(9)12-6-3-4-11-8(6)10/h2*1-15H;4-9,12H2,1-3H3,(H,26,27,28);11-15H,4-10H2,1-3H3;11-12,18H,4-10H2,1-3H3;10-14H,1,3-8H2,2H3;10-11,16H,1,3-8H2,2H3;7H,4-6H2,1-3H3;6H,1,3-4H2,2H3/q2*+1;;;;;;;/p-1/b;;23-22+
• InChIKey: ZSMUWMYEOLKFFK-WGFVZZOUSA-M
• XLogP: 25.02
• TPSA: 451.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.06
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)?

The IUPAC name of 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium) (CID 162208386) is 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium).

What is the SMILES notation for 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)?

The canonical SMILES for 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium) is C=C(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.C=C(C)C(=O)OC1CCOC1=O.C=C(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.CC(F)(F)COC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(=O)OCCS(=O)(=O)[O-].CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)?

The InChIKey is ZSMUWMYEOLKFFK-WGFVZZOUSA-M. The full InChI is InChI=1S/2C18H15S.C17H24F2N4O7S.C17H28O3.C16H26O3.C15H22O3.C14H20O3.C10H16O4.C8H10O4/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(10-20,6-4-13(24)29-8-9-31(26,27)28)22-23-16(2,11-21)7-5-14(25)30-12-17(3,18)19;1-4-17(2,3)16(18)20-10-19-15-13-6-11-5-12(8-13)9-14(15)7-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-9(2)15(16)18-8-17-14-12-4-10-3-11(6-12)7-13(14)5-10;1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-5(2)7(9)12-6-3-4-11-8(6)10/h2*1-15H;4-9,12H2,1-3H3,(H,26,27,28);11-15H,4-10H2,1-3H3;11-12,18H,4-10H2,1-3H3;10-14H,1,3-8H2,2H3;10-11,16H,1,3-8H2,2H3;7H,4-6H2,1-3H3;6H,1,3-4H2,2H3/q2*+1;;;;;;;/p-1/b;;23-22+;;;;;;.

What are the key properties of 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium)?

2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium) has a molecular weight of 2396.06 g/mol, XLogP of 25.02, 38 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-adamantyloxymethyl 2,2-dimethylbutanoate;2-adamantyloxymethyl 2-methylprop-2-enoate;2-[4-cyano-4-[[2-cyano-5-(2,2-difluoropropoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2-methylprop-2-enoate;bis(triphenylsulfanium) is sourced from PubChem (CID 162208386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).