1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene

C122H205F8O16S3+ — CID 160769795

IUPAC1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.CCC(C)c1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCCCO2)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H28O2.C18H23OS.C18H27OS.C15H22O2.C13H24O2.C11H17F3O7S.C10H14O.C7H3F5.12CH4/c1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-5-14(2)15-8-10-16(11-9-15)17(19)18(3,4)20-12-6-7-13-20;1-3-12(2)13-7-9-14(10-8-13)17-15-6-4-5-11-16-15;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-10(2,3)9(16)20-5-8(15)21-7(11(12,13)14)6-22(17,18)19;1-3-8(2)9-4-6-10(11)7-5-9;1-2-3(8)5(10)7(12)6(11)4(2)9;;;;;;;;;;;;/h10-15,17H,4-9H2,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;8-11,14H,5-7,12-13H2,1-4H3;7-10,12,15H,3-6,11H2,1-2H3;5-10H2,1-4H3;7H,4-6H2,1-3H3,(H,17,18,19);4-8,11H,3H2,1-2H3;1H3;12*1H4/q;2*+1;;;;;;;;;;;;;;;;;/p-1
InChIKeyRZDUZQDIJVQFRR-UHFFFAOYSA-M
MW2176.15 g/mol
LogP36.65
Rot. Bonds33

About 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene (PubChem CID 160769795) has the molecular formula C122H205F8O16S3+ and a molecular weight of 2176.15 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene
PubChem CID160769795
Molecular FormulaC122H205F8O16S3+
Molecular Weight2176.15 g/mol
Exact Mass2174.43
IUPAC Name1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.CCC(C)c1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCCCO2)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H28O2.C18H23OS.C18H27OS.C15H22O2.C13H24O2.C11H17F3O7S.C10H14O.C7H3F5.12CH4/c1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-5-14(2)15-8-10-16(11-9-15)17(19)18(3,4)20-12-6-7-13-20;1-3-12(2)13-7-9-14(10-8-13)17-15-6-4-5-11-16-15;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-10(2,3)9(16)20-5-8(15)21-7(11(12,13)14)6-22(17,18)19;1-3-8(2)9-4-6-10(11)7-5-9;1-2-3(8)5(10)7(12)6(11)4(2)9;;;;;;;;;;;;/h10-15,17H,4-9H2,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;8-11,14H,5-7,12-13H2,1-4H3;7-10,12,15H,3-6,11H2,1-2H3;5-10H2,1-4H3;7H,4-6H2,1-3H3,(H,17,18,19);4-8,11H,3H2,1-2H3;1H3;12*1H4/q;2*+1;;;;;;;;;;;;;;;;;/p-1
InChIKeyRZDUZQDIJVQFRR-UHFFFAOYSA-M
XLogP36.65
TPSA219.55 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002176.15
LogP ≤ 536.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene with MolForge

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Related Compounds

3,3-difluorobutan-2-yl adamantane-1-carboxylate;3,3-difluorobutan-2-yl 4-oxoadamantane-1-carboxylate;2,2-difluoropropyl adamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;2-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]butanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;methane;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol)
CID 157159628
5-[4-(2-Adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium
CID 158014632
CID 158085496
CID 158085496
1-Butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium
CID 158116692
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;methanesulfonate;triphenylsulfanium
CID 158251963
1-Butan-2-yl-4-[1-(2-methylpropoxy)ethoxy]benzene;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-(4-butan-2-ylphenoxy)oxolan-2-one;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;(4-methylphenyl)-diphenylsulfanium
CID 158252128
4-Butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-[(4-butan-2-ylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 158359337
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
CID 158503286
[2-[2-(6-Butan-2-ylnaphthalen-2-yl)oxy-2-oxoethoxy]-1,1,3,3,3-pentafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tert-butyl 2,2-dimethylbutanoate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;methyl 2-(hydroxymethyl)-2-methylbutanoate;phenyl 2-(hydroxymethyl)-2-methylbutanoate
CID 158526727
4-(4-Butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
CID 158663341
1-Butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclohexyl) 2,2-dimethylbutanoate
CID 158803279
[4-(4-Butan-2-ylbenzoyl)oxyphenyl]-diphenylsulfanium;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 159009017

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene?
The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene (CID 160769795) is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene.
What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene?
The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene is C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.CCC(C)c1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC2CCCCO2)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene?
The InChIKey is RZDUZQDIJVQFRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H28O2.C18H23OS.C18H27OS.C15H22O2.C13H24O2.C11H17F3O7S.C10H14O.C7H3F5.12CH4/c1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-5-14(2)15-8-10-16(11-9-15)17(19)18(3,4)20-12-6-7-13-20;1-3-12(2)13-7-9-14(10-8-13)17-15-6-4-5-11-16-15;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-10(2,3)9(16)20-5-8(15)21-7(11(12,13)14)6-22(17,18)19;1-3-8(2)9-4-6-10(11)7-5-9;1-2-3(8)5(10)7(12)6(11)4(2)9;;;;;;;;;;;;/h10-15,17H,4-9H2,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;8-11,14H,5-7,12-13H2,1-4H3;7-10,12,15H,3-6,11H2,1-2H3;5-10H2,1-4H3;7H,4-6H2,1-3H3,(H,17,18,19);4-8,11H,3H2,1-2H3;1H3;12*1H4/q;2*+1;;;;;;;;;;;;;;;;;/p-1.
What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene?
1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene has a molecular weight of 2176.15 g/mol, XLogP of 36.65, 33 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene is sourced from PubChem (CID 160769795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).