butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)

C230H293F10O26S5+ — CID 158786596

IUPACbutan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
SMILESC.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(O)c(OC(C)=O)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C(C)(C)C)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(OCCOCCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(C)OC2CCCCC2)c1.CCC(C)c1cccc(OCOCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H36O3.C23H38O2.C22H20F10O2.C20H26O5S.C18H22O5S.C18H28O2.2C18H15S.C14H19OS.C12H16O3.3C10H14O.C10H14.CH4/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;1-6-18(2)20-12-14-21(15-13-20)25-22(23(3,4)5)24-17-16-19-10-8-7-9-11-19;1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-3-16(2)18-6-8-19(9-7-18)25-15-14-24-13-12-17-4-10-20(11-5-17)26(21,22)23;1-3-14(2)16-5-4-6-17(11-16)23-13-22-12-15-7-9-18(10-8-15)24(19,20)21;1-4-14(2)16-9-8-12-18(13-16)20-15(3)19-17-10-6-5-7-11-17;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(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-4-8(2)10-5-6-11(14)12(7-10)15-9(3)13;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-9(2)10-7-5-4-6-8-10;/h10-17,20-21,23H,4-9,18-19H2,1-3H3;12-15,18-19,22H,6-11,16-17H2,1-5H3;5-8,11H,4,9-10H2,1-3H3;4-11,16H,3,12-15H2,1-2H3,(H,21,22,23);4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);8-9,12-15,17H,4-7,10-11H2,1-3H3;2*1-15H;3-5,8-9H,6-7,10-11H2,1-2H3;5-8,14H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3;4-9H,3H2,1-2H3;1H4/q;;;;;;3*+1;;;;;;/p-2
InChIKeyIRTLSPRIVKRUFM-UHFFFAOYSA-L
MW3824.16 g/mol
LogP62.12
Rot. Bonds72

About butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)

butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) (PubChem CID 158786596) has the molecular formula C230H293F10O26S5+ and a molecular weight of 3824.16 g/mol. Its IUPAC name is butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium).

Molecular Properties

Compound Namebutan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
PubChem CID158786596
Molecular FormulaC230H293F10O26S5+
Molecular Weight3824.16 g/mol
Exact Mass3821.00
IUPAC Namebutan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
SMILESC.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(O)c(OC(C)=O)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C(C)(C)C)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(OCCOCCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(C)OC2CCCCC2)c1.CCC(C)c1cccc(OCOCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H36O3.C23H38O2.C22H20F10O2.C20H26O5S.C18H22O5S.C18H28O2.2C18H15S.C14H19OS.C12H16O3.3C10H14O.C10H14.CH4/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;1-6-18(2)20-12-14-21(15-13-20)25-22(23(3,4)5)24-17-16-19-10-8-7-9-11-19;1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-3-16(2)18-6-8-19(9-7-18)25-15-14-24-13-12-17-4-10-20(11-5-17)26(21,22)23;1-3-14(2)16-5-4-6-17(11-16)23-13-22-12-15-7-9-18(10-8-15)24(19,20)21;1-4-14(2)16-9-8-12-18(13-16)20-15(3)19-17-10-6-5-7-11-17;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(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-4-8(2)10-5-6-11(14)12(7-10)15-9(3)13;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-9(2)10-7-5-4-6-8-10;/h10-17,20-21,23H,4-9,18-19H2,1-3H3;12-15,18-19,22H,6-11,16-17H2,1-5H3;5-8,11H,4,9-10H2,1-3H3;4-11,16H,3,12-15H2,1-2H3,(H,21,22,23);4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);8-9,12-15,17H,4-7,10-11H2,1-3H3;2*1-15H;3-5,8-9H,6-7,10-11H2,1-2H3;5-8,14H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3;4-9H,3H2,1-2H3;1H4/q;;;;;;3*+1;;;;;;/p-2
InChIKeyIRTLSPRIVKRUFM-UHFFFAOYSA-L
XLogP62.12
TPSA358.68 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds72
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003824.16
LogP ≤ 562.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?
The IUPAC name of butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) (CID 158786596) is butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium).
What is the SMILES notation for butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?
The canonical SMILES for butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) is C.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(O)c(OC(C)=O)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C(C)(C)C)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(OCCOCCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(C)OC2CCCCC2)c1.CCC(C)c1cccc(OCOCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?
The InChIKey is IRTLSPRIVKRUFM-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H36O3.C23H38O2.C22H20F10O2.C20H26O5S.C18H22O5S.C18H28O2.2C18H15S.C14H19OS.C12H16O3.3C10H14O.C10H14.CH4/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;1-6-18(2)20-12-14-21(15-13-20)25-22(23(3,4)5)24-17-16-19-10-8-7-9-11-19;1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-3-16(2)18-6-8-19(9-7-18)25-15-14-24-13-12-17-4-10-20(11-5-17)26(21,22)23;1-3-14(2)16-5-4-6-17(11-16)23-13-22-12-15-7-9-18(10-8-15)24(19,20)21;1-4-14(2)16-9-8-12-18(13-16)20-15(3)19-17-10-6-5-7-11-17;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(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-4-8(2)10-5-6-11(14)12(7-10)15-9(3)13;2*1-3-8(2)9-4-6-10(11)7-5-9;1-3-8(2)9-5-4-6-10(11)7-9;1-3-9(2)10-7-5-4-6-8-10;/h10-17,20-21,23H,4-9,18-19H2,1-3H3;12-15,18-19,22H,6-11,16-17H2,1-5H3;5-8,11H,4,9-10H2,1-3H3;4-11,16H,3,12-15H2,1-2H3,(H,21,22,23);4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);8-9,12-15,17H,4-7,10-11H2,1-3H3;2*1-15H;3-5,8-9H,6-7,10-11H2,1-2H3;5-8,14H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3;4-9H,3H2,1-2H3;1H4/q;;;;;;3*+1;;;;;;/p-2.
What are the key properties of butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?
butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) has a molecular weight of 3824.16 g/mol, XLogP of 62.12, 72 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;(5-butan-2-yl-2-hydroxyphenyl) acetate;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-[(3-butan-2-ylphenoxy)methoxymethyl]benzenesulfonate;methane;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) is sourced from PubChem (CID 158786596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).