1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene

C291H482F4N12O7S4 — CID 161390204

IUPAC1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1[nH]cc(C2CC2)c1C(C)(C)C.CC(C)(C)c1[nH]cc(F)c1C(C)(C)C.CC(C)(C)c1ccc(C2CC2)cc1C(C)(C)C.CC(C)(C)c1ccc(OC(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cnsc1C(C)(C)C.CCNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CN(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.CNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CNC(=O)c1coc(C(C)(C)C)c1C(C)(C)C.Cc1c[nH]c(C(C)(C)C)c1C(C)(C)C.Cc1c[nH]c(C(C)(C)C)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1coc(C(C)(C)C)c1C(C)(C)C.Cc1csc(C(C)(C)C)c1C(C)(C)C.Cc1csc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C17H26.C16H27N.C15H21F3O.C15H26N2O.C15H25N.3C15H24.C14H24N2O.C14H23NO2.C14H25N.C14H22.2C13H23N.C13H22O.2C13H22S.C12H20FN.C12H20O.C12H20S.C11H19NS/c1-16(2,3)14-10-9-13(12-7-8-12)11-15(14)17(4,5)6;1-15(2,3)13-10-9-12(17(7)8)11-14(13)16(4,5)6;1-13(2,3)11-8-7-10(19-15(16,17)18)9-12(11)14(4,5)6;1-8-16-13(18)11-9-10(14(2,3)4)12(17-11)15(5,6)7;1-14(2,3)12-11(10-7-8-10)9-16-13(12)15(4,5)6;3*1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-13(2,3)9-8-10(12(17)15-7)16-11(9)14(4,5)6;1-13(2,3)10-9(12(16)15-7)8-17-11(10)14(4,5)6;1-10-9-11(13(2,3)4)12(15(10)8)14(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;5*1-9-8-14-11(13(5,6)7)10(9)12(2,3)4;1-11(2,3)9-8(13)7-14-10(9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6/h9-12H,7-8H2,1-6H3;9-11H,1-8H3;7-9H,1-6H3;9,17H,8H2,1-7H3,(H,16,18);9-10,16H,7-8H2,1-6H3;3*8-10H,1-7H3;8,16H,1-7H3,(H,15,17);8H,1-7H3,(H,15,16);9H,1-8H3;7-10H,1-6H3;2*8,14H,1-7H3;3*8H,1-7H3;7,14H,1-6H3;2*7-8H,1-6H3;7H,1-6H3
InChIKeyVSWSKAYYCNETHY-UHFFFAOYSA-N
MW4465.39 g/mol
LogP87.74
Rot. Bonds8

About 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene

1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene (PubChem CID 161390204) has the molecular formula C291H482F4N12O7S4 and a molecular weight of 4465.39 g/mol. Its IUPAC name is 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene
PubChem CID161390204
Molecular FormulaC291H482F4N12O7S4
Molecular Weight4465.39 g/mol
Exact Mass4461.65
IUPAC Name1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)c1[nH]cc(C2CC2)c1C(C)(C)C.CC(C)(C)c1[nH]cc(F)c1C(C)(C)C.CC(C)(C)c1ccc(C2CC2)cc1C(C)(C)C.CC(C)(C)c1ccc(OC(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cnsc1C(C)(C)C.CCNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CN(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.CNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CNC(=O)c1coc(C(C)(C)C)c1C(C)(C)C.Cc1c[nH]c(C(C)(C)C)c1C(C)(C)C.Cc1c[nH]c(C(C)(C)C)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1coc(C(C)(C)C)c1C(C)(C)C.Cc1csc(C(C)(C)C)c1C(C)(C)C.Cc1csc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C17H26.C16H27N.C15H21F3O.C15H26N2O.C15H25N.3C15H24.C14H24N2O.C14H23NO2.C14H25N.C14H22.2C13H23N.C13H22O.2C13H22S.C12H20FN.C12H20O.C12H20S.C11H19NS/c1-16(2,3)14-10-9-13(12-7-8-12)11-15(14)17(4,5)6;1-15(2,3)13-10-9-12(17(7)8)11-14(13)16(4,5)6;1-13(2,3)11-8-7-10(19-15(16,17)18)9-12(11)14(4,5)6;1-8-16-13(18)11-9-10(14(2,3)4)12(17-11)15(5,6)7;1-14(2,3)12-11(10-7-8-10)9-16-13(12)15(4,5)6;3*1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-13(2,3)9-8-10(12(17)15-7)16-11(9)14(4,5)6;1-13(2,3)10-9(12(16)15-7)8-17-11(10)14(4,5)6;1-10-9-11(13(2,3)4)12(15(10)8)14(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;5*1-9-8-14-11(13(5,6)7)10(9)12(2,3)4;1-11(2,3)9-8(13)7-14-10(9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6/h9-12H,7-8H2,1-6H3;9-11H,1-8H3;7-9H,1-6H3;9,17H,8H2,1-7H3,(H,16,18);9-10,16H,7-8H2,1-6H3;3*8-10H,1-7H3;8,16H,1-7H3,(H,15,17);8H,1-7H3,(H,15,16);9H,1-8H3;7-10H,1-6H3;2*8,14H,1-7H3;3*8H,1-7H3;7,14H,1-6H3;2*7-8H,1-6H3;7H,1-6H3
InChIKeyVSWSKAYYCNETHY-UHFFFAOYSA-N
XLogP87.74
TPSA251.75 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms318
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004465.39
LogP ≤ 587.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylfuran;1-tert-butyl-3-methoxybenzene;2-tert-butyl-1-methylpyrrole;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-cyclopropylpiperazine;1-[2-(4-tert-butylphenyl)ethyl]pyrrolidine;N-[(4-tert-butylphenyl)methyl]cyclohexanamine;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-(3-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrrolidine;4-(4-tert-butylphenyl)morpholine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160698116

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene (CID 161390204) is 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene is CC(C)(C)c1[nH]cc(C2CC2)c1C(C)(C)C.CC(C)(C)c1[nH]cc(F)c1C(C)(C)C.CC(C)(C)c1ccc(C2CC2)cc1C(C)(C)C.CC(C)(C)c1ccc(OC(F)(F)F)cc1C(C)(C)C.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cnsc1C(C)(C)C.CCNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CN(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.CNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CNC(=O)c1coc(C(C)(C)C)c1C(C)(C)C.Cc1c[nH]c(C(C)(C)C)c1C(C)(C)C.Cc1c[nH]c(C(C)(C)C)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1.Cc1coc(C(C)(C)C)c1C(C)(C)C.Cc1csc(C(C)(C)C)c1C(C)(C)C.Cc1csc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene?
The InChIKey is VSWSKAYYCNETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C16H27N.C15H21F3O.C15H26N2O.C15H25N.3C15H24.C14H24N2O.C14H23NO2.C14H25N.C14H22.2C13H23N.C13H22O.2C13H22S.C12H20FN.C12H20O.C12H20S.C11H19NS/c1-16(2,3)14-10-9-13(12-7-8-12)11-15(14)17(4,5)6;1-15(2,3)13-10-9-12(17(7)8)11-14(13)16(4,5)6;1-13(2,3)11-8-7-10(19-15(16,17)18)9-12(11)14(4,5)6;1-8-16-13(18)11-9-10(14(2,3)4)12(17-11)15(5,6)7;1-14(2,3)12-11(10-7-8-10)9-16-13(12)15(4,5)6;3*1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-13(2,3)9-8-10(12(17)15-7)16-11(9)14(4,5)6;1-13(2,3)10-9(12(16)15-7)8-17-11(10)14(4,5)6;1-10-9-11(13(2,3)4)12(15(10)8)14(5,6)7;1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;5*1-9-8-14-11(13(5,6)7)10(9)12(2,3)4;1-11(2,3)9-8(13)7-14-10(9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6/h9-12H,7-8H2,1-6H3;9-11H,1-8H3;7-9H,1-6H3;9,17H,8H2,1-7H3,(H,16,18);9-10,16H,7-8H2,1-6H3;3*8-10H,1-7H3;8,16H,1-7H3,(H,15,17);8H,1-7H3,(H,15,16);9H,1-8H3;7-10H,1-6H3;2*8,14H,1-7H3;3*8H,1-7H3;7,14H,1-6H3;2*7-8H,1-6H3;7H,1-6H3.
What are the key properties of 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene?
1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene has a molecular weight of 4465.39 g/mol, XLogP of 87.74, 8 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylbenzene;1,2-ditert-butyl-4-cyclopropylbenzene;2,3-ditert-butyl-4-cyclopropyl-1H-pyrrole;3,4-ditert-butyl-N,N-dimethylaniline;2,3-ditert-butyl-1,5-dimethylpyrrole;4,5-ditert-butyl-N-ethyl-1H-pyrrole-2-carboxamide;2,3-ditert-butyl-4-fluoro-1H-pyrrole;2,3-ditert-butylfuran;tris(1,2-ditert-butyl-4-methylbenzene);2,3-ditert-butyl-4-methylfuran;4,5-ditert-butyl-N-methylfuran-3-carboxamide;bis(2,3-ditert-butyl-4-methyl-1H-pyrrole);4,5-ditert-butyl-N-methyl-1H-pyrrole-2-carboxamide;bis(2,3-ditert-butyl-4-methylthiophene);4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene;1,2-ditert-butyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 161390204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).