2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)

C136H160O16S6+2 — CID 158624050

About 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)

2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium) (PubChem CID 158624050) has the molecular formula C136H160O16S6+2 and a molecular weight of 2243.16 g/mol. Its IUPAC name is 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)
• PubChem CID: 158624050
• Molecular Formula: C136H160O16S6+2
• Molecular Weight: 2243.16 g/mol
• Exact Mass: 2241.00
• IUPAC Name: 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)
• SMILES: CC1CCCCC1C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(CS(=O)(=O)[O-])C(=O)OC12CC3CC(CC(C3)C1)C2.CCOC(=O)CC1(C)CCCCCC1.O=C(OC12CC3CC(CC(C3)C1)C2)C(CS(=O)(=O)[O-])C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C19H30O5S.C18H26O4.4C18H15S.C15H24O5S.C12H22O2/c20-18(17(12-25(21,22)23)16-4-2-1-3-5-16)24-19-9-13-6-14(10-19)8-15(7-13)11-19;1-10-4-2-3-5-14(10)18(20)22-16-12-6-11-7-13(9-12)17(19)21-15(16)8-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-13(9-21(17,18)19)14(16)20-15-6-10-3-11(7-15)5-12(4-10)8-15;1-3-14-11(13)10-12(2)8-6-4-5-7-9-12/h13-17H,1-12H2,(H,21,22,23);10-16H,2-9H2,1H3;4*1-15H;10-13H,2-9H2,1H3,(H,17,18,19);3-10H2,1-2H3/q;;4*+1;;/p-2
• InChIKey: HYJDILUIDMZYKA-UHFFFAOYSA-L
• XLogP: 30.82
• TPSA: 245.90 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.16
LogP ≤ 5	30.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)?

The IUPAC name of 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium) (CID 158624050) is 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium).

What is the SMILES notation for 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)?

The canonical SMILES for 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium) is CC1CCCCC1C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(CS(=O)(=O)[O-])C(=O)OC12CC3CC(CC(C3)C1)C2.CCOC(=O)CC1(C)CCCCCC1.O=C(OC12CC3CC(CC(C3)C1)C2)C(CS(=O)(=O)[O-])C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)?

The InChIKey is HYJDILUIDMZYKA-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H30O5S.C18H26O4.4C18H15S.C15H24O5S.C12H22O2/c20-18(17(12-25(21,22)23)16-4-2-1-3-5-16)24-19-9-13-6-14(10-19)8-15(7-13)11-19;1-10-4-2-3-5-14(10)18(20)22-16-12-6-11-7-13(9-12)17(19)21-15(16)8-11;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-13(9-21(17,18)19)14(16)20-15-6-10-3-11(7-15)5-12(4-10)8-15;1-3-14-11(13)10-12(2)8-6-4-5-7-9-12/h13-17H,1-12H2,(H,21,22,23);10-16H,2-9H2,1H3;4*1-15H;10-13H,2-9H2,1H3,(H,17,18,19);3-10H2,1-2H3/q;;4*+1;;/p-2.

What are the key properties of 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium)?

2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium) has a molecular weight of 2243.16 g/mol, XLogP of 30.82, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyloxycarbonyl)butane-1-sulfonate;3-(1-adamantyloxy)-2-cyclohexyl-3-oxopropane-1-sulfonate;ethyl 2-(1-methylcycloheptyl)acetate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-methylcyclohexane-1-carboxylate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).