tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid

C283H398N6O43S — CID 157366306

IUPACtert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid
SMILESCC(=O)c1ccc(C(C)C)cc1C.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(CC(=O)O)cc1.CC(C)c1ccc(CC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(=O)OC(C)(C)C)c1.CC(C)c1cccc(CC(=O)O)c1.CC(C)c1cccc(CC(=O)OC(C)(C)C)c1.CC(C)c1cccc(CNC(=O)OC(C)(C)C)c1.CC(C)c1cccc(NC(=O)OC(C)(C)C)c1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccc1C(=O)OC(C)(C)C.CC(C)c1ccccc1CC(=O)O.CC(C)c1ccccc1CC(=O)OC(C)(C)C.CC(C)c1ccccc1CNC(=O)OC(C)(C)C.CC(C)c1ccccc1NC(=O)OC(C)(C)C.COc1cc(C(C)=O)ccc1C(C)C.COc1cc(C(C)=O)ccc1C(C)C
InChIInChI=1S/3C15H23NO2.3C15H22O2.3C14H21NO2.3C14H20O2.2C12H16O2.C12H16O.3C11H14O2.C10H14O2S.3C10H12O2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5;1-11(2)13-8-6-7-12(9-13)10-16-14(17)18-15(3,4)5;1-11(2)13-9-7-6-8-12(13)10-16-14(17)18-15(3,4)5;1-11(2)13-8-6-12(7-9-13)10-14(16)17-15(3,4)5;1-11(2)13-8-6-7-12(9-13)10-14(16)17-15(3,4)5;1-11(2)13-9-7-6-8-12(13)10-14(16)17-15(3,4)5;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-10(2)11-7-6-8-12(9-11)15-13(16)17-14(3,4)5;1-10(2)11-8-6-7-9-12(11)15-13(16)17-14(3,4)5;1-10(2)11-6-8-12(9-7-11)13(15)16-14(3,4)5;1-10(2)11-7-6-8-12(9-11)13(15)16-14(3,4)5;1-10(2)11-8-6-7-9-12(11)13(15)16-14(3,4)5;2*1-8(2)11-6-5-10(9(3)13)7-12(11)14-4;1-8(2)11-5-6-12(10(4)13)9(3)7-11;1-8(2)10-5-3-9(4-6-10)7-11(12)13;1-8(2)10-5-3-4-9(6-10)7-11(12)13;1-8(2)10-6-4-3-5-9(10)7-11(12)13;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12/h3*6-9,11H,10H2,1-5H3,(H,16,17);3*6-9,11H,10H2,1-5H3;3*6-10H,1-5H3,(H,15,16);3*6-10H,1-5H3;2*5-8H,1-4H3;5-8H,1-4H3;3*3-6,8H,7H2,1-2H3,(H,12,13);4-8H,1-3H3;3*3-7H,1-2H3,(H,11,12)
InChIKeyBJFLCUFFKAAMGQ-UHFFFAOYSA-N
MW4604.36 g/mol
LogP72.77
Rot. Bonds55

About tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid

tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid (PubChem CID 157366306) has the molecular formula C283H398N6O43S and a molecular weight of 4604.36 g/mol. Its IUPAC name is tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Nametert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid
PubChem CID157366306
Molecular FormulaC283H398N6O43S
Molecular Weight4604.36 g/mol
Exact Mass4600.89
IUPAC Nametert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid
SMILESCC(=O)c1ccc(C(C)C)cc1C.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(CC(=O)O)cc1.CC(C)c1ccc(CC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(=O)OC(C)(C)C)c1.CC(C)c1cccc(CC(=O)O)c1.CC(C)c1cccc(CC(=O)OC(C)(C)C)c1.CC(C)c1cccc(CNC(=O)OC(C)(C)C)c1.CC(C)c1cccc(NC(=O)OC(C)(C)C)c1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccc1C(=O)OC(C)(C)C.CC(C)c1ccccc1CC(=O)O.CC(C)c1ccccc1CC(=O)OC(C)(C)C.CC(C)c1ccccc1CNC(=O)OC(C)(C)C.CC(C)c1ccccc1NC(=O)OC(C)(C)C.COc1cc(C(C)=O)ccc1C(C)C.COc1cc(C(C)=O)ccc1C(C)C
InChIInChI=1S/3C15H23NO2.3C15H22O2.3C14H21NO2.3C14H20O2.2C12H16O2.C12H16O.3C11H14O2.C10H14O2S.3C10H12O2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5;1-11(2)13-8-6-7-12(9-13)10-16-14(17)18-15(3,4)5;1-11(2)13-9-7-6-8-12(13)10-16-14(17)18-15(3,4)5;1-11(2)13-8-6-12(7-9-13)10-14(16)17-15(3,4)5;1-11(2)13-8-6-7-12(9-13)10-14(16)17-15(3,4)5;1-11(2)13-9-7-6-8-12(13)10-14(16)17-15(3,4)5;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-10(2)11-7-6-8-12(9-11)15-13(16)17-14(3,4)5;1-10(2)11-8-6-7-9-12(11)15-13(16)17-14(3,4)5;1-10(2)11-6-8-12(9-7-11)13(15)16-14(3,4)5;1-10(2)11-7-6-8-12(9-11)13(15)16-14(3,4)5;1-10(2)11-8-6-7-9-12(11)13(15)16-14(3,4)5;2*1-8(2)11-6-5-10(9(3)13)7-12(11)14-4;1-8(2)11-5-6-12(10(4)13)9(3)7-11;1-8(2)10-5-3-9(4-6-10)7-11(12)13;1-8(2)10-5-3-4-9(6-10)7-11(12)13;1-8(2)10-6-4-3-5-9(10)7-11(12)13;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12/h3*6-9,11H,10H2,1-5H3,(H,16,17);3*6-9,11H,10H2,1-5H3;3*6-10H,1-5H3,(H,15,16);3*6-10H,1-5H3;2*5-8H,1-4H3;5-8H,1-4H3;3*3-6,8H,7H2,1-2H3,(H,12,13);4-8H,1-3H3;3*3-7H,1-2H3,(H,11,12)
InChIKeyBJFLCUFFKAAMGQ-UHFFFAOYSA-N
XLogP72.77
TPSA715.39 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds55
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004604.36
LogP ≤ 572.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid?
The IUPAC name of tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid (CID 157366306) is tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid is CC(=O)c1ccc(C(C)C)cc1C.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(CC(=O)O)cc1.CC(C)c1ccc(CC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(=O)OC(C)(C)C)c1.CC(C)c1cccc(CC(=O)O)c1.CC(C)c1cccc(CC(=O)OC(C)(C)C)c1.CC(C)c1cccc(CNC(=O)OC(C)(C)C)c1.CC(C)c1cccc(NC(=O)OC(C)(C)C)c1.CC(C)c1ccccc1C(=O)O.CC(C)c1ccccc1C(=O)OC(C)(C)C.CC(C)c1ccccc1CC(=O)O.CC(C)c1ccccc1CC(=O)OC(C)(C)C.CC(C)c1ccccc1CNC(=O)OC(C)(C)C.CC(C)c1ccccc1NC(=O)OC(C)(C)C.COc1cc(C(C)=O)ccc1C(C)C.COc1cc(C(C)=O)ccc1C(C)C.
What is the InChIKey of tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid?
The InChIKey is BJFLCUFFKAAMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H23NO2.3C15H22O2.3C14H21NO2.3C14H20O2.2C12H16O2.C12H16O.3C11H14O2.C10H14O2S.3C10H12O2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5;1-11(2)13-8-6-7-12(9-13)10-16-14(17)18-15(3,4)5;1-11(2)13-9-7-6-8-12(13)10-16-14(17)18-15(3,4)5;1-11(2)13-8-6-12(7-9-13)10-14(16)17-15(3,4)5;1-11(2)13-8-6-7-12(9-13)10-14(16)17-15(3,4)5;1-11(2)13-9-7-6-8-12(13)10-14(16)17-15(3,4)5;1-10(2)11-6-8-12(9-7-11)15-13(16)17-14(3,4)5;1-10(2)11-7-6-8-12(9-11)15-13(16)17-14(3,4)5;1-10(2)11-8-6-7-9-12(11)15-13(16)17-14(3,4)5;1-10(2)11-6-8-12(9-7-11)13(15)16-14(3,4)5;1-10(2)11-7-6-8-12(9-11)13(15)16-14(3,4)5;1-10(2)11-8-6-7-9-12(11)13(15)16-14(3,4)5;2*1-8(2)11-6-5-10(9(3)13)7-12(11)14-4;1-8(2)11-5-6-12(10(4)13)9(3)7-11;1-8(2)10-5-3-9(4-6-10)7-11(12)13;1-8(2)10-5-3-4-9(6-10)7-11(12)13;1-8(2)10-6-4-3-5-9(10)7-11(12)13;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12/h3*6-9,11H,10H2,1-5H3,(H,16,17);3*6-9,11H,10H2,1-5H3;3*6-10H,1-5H3,(H,15,16);3*6-10H,1-5H3;2*5-8H,1-4H3;5-8H,1-4H3;3*3-6,8H,7H2,1-2H3,(H,12,13);4-8H,1-3H3;3*3-7H,1-2H3,(H,11,12).
What are the key properties of tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid?
tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid has a molecular weight of 4604.36 g/mol, XLogP of 72.77, 55 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propan-2-ylbenzoate;tert-butyl 3-propan-2-ylbenzoate;tert-butyl 4-propan-2-ylbenzoate;tert-butyl 2-(2-propan-2-ylphenyl)acetate;tert-butyl 2-(3-propan-2-ylphenyl)acetate;tert-butyl 2-(4-propan-2-ylphenyl)acetate;tert-butyl N-(2-propan-2-ylphenyl)carbamate;tert-butyl N-(3-propan-2-ylphenyl)carbamate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;tert-butyl N-[(2-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(3-propan-2-ylphenyl)methyl]carbamate;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;bis(1-(3-methoxy-4-propan-2-ylphenyl)ethanone);1-(2-methyl-4-propan-2-ylphenyl)ethanone;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylbenzoic acid;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-(4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 157366306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).