2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium

C179H240F9N3O29S3 — CID 159004943

IUPAC2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)c1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc2cc(C(=O)OCCOS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])ccc2c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccccc1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.c1ccc(CO[n+]2ccncc2)cc1.c1ccc2c[n+](OC3CCCCC3)ccc2c1
InChIInChI=1S/C19H20F4O8S2.C19H32O2.C15H18NO.C14H18F2O5S.C14H18O3.C14H26O2.C14H16O.C14H22O.C13H17F3O.C12H16O3.C11H11N2O.C10H14O.C10H14/c1-3-12(2)13-4-5-15-11-16(7-6-14(15)10-13)17(24)30-8-9-31-33(28,29)19(22,23)18(20,21)32(25,26)27;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-4-9(2)11-5-7-12(8-6-11)13(17)21-10(3)14(15,16)22(18,19)20;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-2-4-11(5-3-1)10-14-13-8-6-12-7-9-13;1-3-8(2)9-4-6-10(11)7-5-9;1-3-9(2)10-7-5-4-6-8-10/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,26,27);13-15H,6-12H2,1-5H3;4-7,10-12,15H,1-3,8-9H2;5-10H,4H2,1-3H3,(H,18,19,20);4-7,10,13H,3,8-9H2,1-2H3;5-11H2,1-4H3;4-10,15H,3H2,1-2H3;7-11H,6H2,1-5H3;5-9,17H,4H2,1-3H3;5-8,13H,4H2,1-3H3;1-9H,10H2;4-8,11H,3H2,1-2H3;4-9H,3H2,1-2H3/q;;+1;;;;;;;;+1;;/p-2
InChIKeyJRUPBWJKGOOPIX-UHFFFAOYSA-L
MW3165.06 g/mol
LogP43.54
Rot. Bonds48

About 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium

2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium (PubChem CID 159004943) has the molecular formula C179H240F9N3O29S3 and a molecular weight of 3165.06 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium
PubChem CID159004943
Molecular FormulaC179H240F9N3O29S3
Molecular Weight3165.06 g/mol
Exact Mass3162.64
IUPAC Name2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)c1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc2cc(C(=O)OCCOS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])ccc2c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccccc1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.c1ccc(CO[n+]2ccncc2)cc1.c1ccc2c[n+](OC3CCCCC3)ccc2c1
InChIInChI=1S/C19H20F4O8S2.C19H32O2.C15H18NO.C14H18F2O5S.C14H18O3.C14H26O2.C14H16O.C14H22O.C13H17F3O.C12H16O3.C11H11N2O.C10H14O.C10H14/c1-3-12(2)13-4-5-15-11-16(7-6-14(15)10-13)17(24)30-8-9-31-33(28,29)19(22,23)18(20,21)32(25,26)27;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-4-9(2)11-5-7-12(8-6-11)13(17)21-10(3)14(15,16)22(18,19)20;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-2-4-11(5-3-1)10-14-13-8-6-12-7-9-13;1-3-8(2)9-4-6-10(11)7-5-9;1-3-9(2)10-7-5-4-6-8-10/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,26,27);13-15H,6-12H2,1-5H3;4-7,10-12,15H,1-3,8-9H2;5-10H,4H2,1-3H3,(H,18,19,20);4-7,10,13H,3,8-9H2,1-2H3;5-11H2,1-4H3;4-10,15H,3H2,1-2H3;7-11H,6H2,1-5H3;5-9,17H,4H2,1-3H3;5-8,13H,4H2,1-3H3;1-9H,10H2;4-8,11H,3H2,1-2H3;4-9H,3H2,1-2H3/q;;+1;;;;;;;;+1;;/p-2
InChIKeyJRUPBWJKGOOPIX-UHFFFAOYSA-L
XLogP43.54
TPSA454.06 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.06
LogP ≤ 543.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium?
The IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium (CID 159004943) is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium.
What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium?
The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)c1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc2cc(C(=O)OCCOS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])ccc2c1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1ccccc1.CCC1(OC(=O)C(C)(C)CC)CCCCC1.c1ccc(CO[n+]2ccncc2)cc1.c1ccc2c[n+](OC3CCCCC3)ccc2c1.
What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium?
The InChIKey is JRUPBWJKGOOPIX-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H20F4O8S2.C19H32O2.C15H18NO.C14H18F2O5S.C14H18O3.C14H26O2.C14H16O.C14H22O.C13H17F3O.C12H16O3.C11H11N2O.C10H14O.C10H14/c1-3-12(2)13-4-5-15-11-16(7-6-14(15)10-13)17(24)30-8-9-31-33(28,29)19(22,23)18(20,21)32(25,26)27;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-4-9(2)11-5-7-12(8-6-11)13(17)21-10(3)14(15,16)22(18,19)20;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-2-4-11(5-3-1)10-14-13-8-6-12-7-9-13;1-3-8(2)9-4-6-10(11)7-5-9;1-3-9(2)10-7-5-4-6-8-10/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,26,27);13-15H,6-12H2,1-5H3;4-7,10-12,15H,1-3,8-9H2;5-10H,4H2,1-3H3,(H,18,19,20);4-7,10,13H,3,8-9H2,1-2H3;5-11H2,1-4H3;4-10,15H,3H2,1-2H3;7-11H,6H2,1-5H3;5-9,17H,4H2,1-3H3;5-8,13H,4H2,1-3H3;1-9H,10H2;4-8,11H,3H2,1-2H3;4-9H,3H2,1-2H3/q;;+1;;;;;;;;+1;;/p-2.
What are the key properties of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium?
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium has a molecular weight of 3165.06 g/mol, XLogP of 43.54, 48 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;butan-2-ylbenzene;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;2-[2-(6-butan-2-ylnaphthalene-2-carbonyl)oxyethoxysulfonyl]-1,1,2,2-tetrafluoroethanesulfonate;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexyloxyisoquinolin-2-ium;(1-ethylcyclohexyl) 2,2-dimethylbutanoate;(4-hydroxyphenyl) 2,2-dimethylbutanoate;1-phenylmethoxypyrazin-1-ium is sourced from PubChem (CID 159004943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).