1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium

C104H130F6O16S3 — CID 159074212

IUPAC1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium
SMILESCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCc1ccc(O)cc1.CCc1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCc1ccc(OC(CC(C)C2CCCC2)OC2CCCCC2)cc1.CCc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCc1ccc2cc(O)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H36O2.C20H32O2.C18H15S.C12H16O4.C12H12O.C11H10F6O6S2.C8H10O/c1-3-19-13-15-22(16-14-19)25-23(24-21-11-5-4-6-12-21)17-18(2)20-9-7-8-10-20;1-5-16-11-13-18(14-12-16)22-19(15-20(2,3)4)21-17-9-7-6-8-10-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-2-9-3-4-11-8-12(13)6-5-10(11)7-9;1-2-7-3-5-8(6-4-7)23-25(21,22)11(16,17)9(12,13)10(14,15)24(18,19)20;1-2-7-3-5-8(9)6-4-7/h13-16,18,20-21,23H,3-12,17H2,1-2H3;11-14,17,19H,5-10,15H2,1-4H3;1-15H;5-10H,3-4H2,1-2H3;3-8,13H,2H2,1H3;3-6H,2H2,1H3,(H,18,19,20);3-6,9H,2H2,1H3/q;;+1;;;;/p-1
InChIKeyKAAWJZDNGSLBFH-UHFFFAOYSA-M
MW1846.36 g/mol
LogP25.56
Rot. Bonds28

About 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium

1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium (PubChem CID 159074212) has the molecular formula C104H130F6O16S3 and a molecular weight of 1846.36 g/mol. Its IUPAC name is 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium.

Molecular Properties

Compound Name1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium
PubChem CID159074212
Molecular FormulaC104H130F6O16S3
Molecular Weight1846.36 g/mol
Exact Mass1844.84
IUPAC Name1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium
SMILESCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCc1ccc(O)cc1.CCc1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCc1ccc(OC(CC(C)C2CCCC2)OC2CCCCC2)cc1.CCc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCc1ccc2cc(O)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H36O2.C20H32O2.C18H15S.C12H16O4.C12H12O.C11H10F6O6S2.C8H10O/c1-3-19-13-15-22(16-14-19)25-23(24-21-11-5-4-6-12-21)17-18(2)20-9-7-8-10-20;1-5-16-11-13-18(14-12-16)22-19(15-20(2,3)4)21-17-9-7-6-8-10-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-2-9-3-4-11-8-12(13)6-5-10(11)7-9;1-2-7-3-5-8(6-4-7)23-25(21,22)11(16,17)9(12,13)10(14,15)24(18,19)20;1-2-7-3-5-8(9)6-4-7/h13-16,18,20-21,23H,3-12,17H2,1-2H3;11-14,17,19H,5-10,15H2,1-4H3;1-15H;5-10H,3-4H2,1-2H3;3-8,13H,2H2,1H3;3-6H,2H2,1H3,(H,18,19,20);3-6,9H,2H2,1H3/q;;+1;;;;/p-1
InChIKeyKAAWJZDNGSLBFH-UHFFFAOYSA-M
XLogP25.56
TPSA230.55 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.36
LogP ≤ 525.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium?
The IUPAC name of 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium (CID 159074212) is 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium.
What is the SMILES notation for 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium?
The canonical SMILES for 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium is CC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCc1ccc(O)cc1.CCc1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCc1ccc(OC(CC(C)C2CCCC2)OC2CCCCC2)cc1.CCc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCc1ccc2cc(O)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium?
The InChIKey is KAAWJZDNGSLBFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H36O2.C20H32O2.C18H15S.C12H16O4.C12H12O.C11H10F6O6S2.C8H10O/c1-3-19-13-15-22(16-14-19)25-23(24-21-11-5-4-6-12-21)17-18(2)20-9-7-8-10-20;1-5-16-11-13-18(14-12-16)22-19(15-20(2,3)4)21-17-9-7-6-8-10-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-2-9-3-4-11-8-12(13)6-5-10(11)7-9;1-2-7-3-5-8(6-4-7)23-25(21,22)11(16,17)9(12,13)10(14,15)24(18,19)20;1-2-7-3-5-8(9)6-4-7/h13-16,18,20-21,23H,3-12,17H2,1-2H3;11-14,17,19H,5-10,15H2,1-4H3;1-15H;5-10H,3-4H2,1-2H3;3-8,13H,2H2,1H3;3-6H,2H2,1H3,(H,18,19,20);3-6,9H,2H2,1H3/q;;+1;;;;/p-1.
What are the key properties of 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium?
1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium has a molecular weight of 1846.36 g/mol, XLogP of 25.56, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxy-3-cyclopentylbutoxy)-4-ethylbenzene;1-(1-cyclohexyloxy-3,3-dimethylbutoxy)-4-ethylbenzene;6-ethylnaphthalen-2-ol;4-ethylphenol;3-(4-ethylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate;triphenylsulfanium is sourced from PubChem (CID 159074212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).