2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

C195H277F13N2O32S3 — CID 161262794

IUPAC2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)COc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCCCCCO[n+]1cccc2ccccc21.CCCCCCO[n+]1cc2ccccc2c2ccccc21
InChIInChI=1S/C19H22NO.C19H32O2.C18H16F4O6S.C17H24NO.C16H20F6O7S2.C15H24O2.C15H28O2.C14H20O4.C14H16O.C13H17F3O.C13H24O2.C12H22O2.C10H14O/c1-2-3-4-9-14-21-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-3-9(2)10-4-6-11(7-5-10)28-12(23)8-27-17-13(19)15(21)18(29(24,25)26)16(22)14(17)20;1-2-3-4-5-6-9-15-19-18-14-10-12-16-11-7-8-13-17(16)18;1-3-11(2)12-5-7-13(8-6-12)28-9-4-10-29-31(26,27)16(21,22)14(17,18)15(19,20)30(23,24)25;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10;1-3-8(2)9-4-6-10(11)7-5-9/h5-8,10-13,15H,2-4,9,14H2,1H3;13-15H,6-12H2,1-5H3;4-7,9H,3,8H2,1-2H3,(H,24,25,26);7-8,10-14H,2-6,9,15H2,1H3;5-8,11H,3-4,9-10H2,1-2H3,(H,23,24,25);7-12,15H,6H2,1-5H3;12H,6-11H2,1-5H3;7-11H,4-6H2,1-3H3;4-10,15H,3H2,1-2H3;5-9,17H,4H2,1-3H3;5-10H2,1-4H3;10H,4-9H2,1-3H3;4-8,11H,3H2,1-2H3/q+1;;;+1;;;;;;;;;/p-2
InChIKeyVCTXWQMQZYVJIC-UHFFFAOYSA-L
MW3504.52 g/mol
LogP48.86
Rot. Bonds64

About 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (PubChem CID 161262794) has the molecular formula C195H277F13N2O32S3 and a molecular weight of 3504.52 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
PubChem CID161262794
Molecular FormulaC195H277F13N2O32S3
Molecular Weight3504.52 g/mol
Exact Mass3501.91
IUPAC Name2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)COc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCCCCCO[n+]1cccc2ccccc21.CCCCCCO[n+]1cc2ccccc2c2ccccc21
InChIInChI=1S/C19H22NO.C19H32O2.C18H16F4O6S.C17H24NO.C16H20F6O7S2.C15H24O2.C15H28O2.C14H20O4.C14H16O.C13H17F3O.C13H24O2.C12H22O2.C10H14O/c1-2-3-4-9-14-21-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-3-9(2)10-4-6-11(7-5-10)28-12(23)8-27-17-13(19)15(21)18(29(24,25)26)16(22)14(17)20;1-2-3-4-5-6-9-15-19-18-14-10-12-16-11-7-8-13-17(16)18;1-3-11(2)12-5-7-13(8-6-12)28-9-4-10-29-31(26,27)16(21,22)14(17,18)15(19,20)30(23,24)25;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10;1-3-8(2)9-4-6-10(11)7-5-9/h5-8,10-13,15H,2-4,9,14H2,1H3;13-15H,6-12H2,1-5H3;4-7,9H,3,8H2,1-2H3,(H,24,25,26);7-8,10-14H,2-6,9,15H2,1H3;5-8,11H,3-4,9-10H2,1-2H3,(H,23,24,25);7-12,15H,6H2,1-5H3;12H,6-11H2,1-5H3;7-11H,4-6H2,1-3H3;4-10,15H,3H2,1-2H3;5-9,17H,4H2,1-3H3;5-10H2,1-4H3;10H,4-9H2,1-3H3;4-8,11H,3H2,1-2H3/q+1;;;+1;;;;;;;;;/p-2
InChIKeyVCTXWQMQZYVJIC-UHFFFAOYSA-L
XLogP48.86
TPSA465.70 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds64
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003504.52
LogP ≤ 548.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
The IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (CID 161262794) is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)COc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCCCCCO[n+]1cccc2ccccc21.CCCCCCO[n+]1cc2ccccc2c2ccccc21.
What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
The InChIKey is VCTXWQMQZYVJIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H22NO.C19H32O2.C18H16F4O6S.C17H24NO.C16H20F6O7S2.C15H24O2.C15H28O2.C14H20O4.C14H16O.C13H17F3O.C13H24O2.C12H22O2.C10H14O/c1-2-3-4-9-14-21-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-3-9(2)10-4-6-11(7-5-10)28-12(23)8-27-17-13(19)15(21)18(29(24,25)26)16(22)14(17)20;1-2-3-4-5-6-9-15-19-18-14-10-12-16-11-7-8-13-17(16)18;1-3-11(2)12-5-7-13(8-6-12)28-9-4-10-29-31(26,27)16(21,22)14(17,18)15(19,20)30(23,24)25;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10;1-3-8(2)9-4-6-10(11)7-5-9/h5-8,10-13,15H,2-4,9,14H2,1H3;13-15H,6-12H2,1-5H3;4-7,9H,3,8H2,1-2H3,(H,24,25,26);7-8,10-14H,2-6,9,15H2,1H3;5-8,11H,3-4,9-10H2,1-2H3,(H,23,24,25);7-12,15H,6H2,1-5H3;12H,6-11H2,1-5H3;7-11H,4-6H2,1-3H3;4-10,15H,3H2,1-2H3;5-9,17H,4H2,1-3H3;5-10H2,1-4H3;10H,4-9H2,1-3H3;4-8,11H,3H2,1-2H3/q+1;;;+1;;;;;;;;;/p-2.
What are the key properties of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate has a molecular weight of 3504.52 g/mol, XLogP of 48.86, 64 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;4-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;3-[3-(4-butan-2-ylphenoxy)propoxysulfonyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;5-hexoxyphenanthridin-5-ium;1-octoxyquinolin-1-ium;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161262794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).