tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

C274H362Cl5F7N8OS2 — CID 159591985

IUPACtert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc(C(F)F)c1.CC(C)(C)c1cccc(C2CC2)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc(Cl)c1.CSc1cccc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(F)c(C(C)(C)C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20.C13H17N.3C13H15N.2C13H18.C12H16N2.C12H16O.C12H14S.2C11H15Cl.C11H14F2.3C11H15F.C11H16S.2C10H13Cl.2C10H13F.C10H15N.C10H14.C9H12ClN/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-6-4-5-11(9-12)10-7-8-10;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-10(12)9(7-8)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-8(10)6-11-5-7/h8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-6,9-10H,7-8H2,1-3H3;7-9H,4-6H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;2*5-7H,1-4H3;4-7,10H,1-3H3;3*5-7H,1-4H3;5-8H,1-4H3;4*4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyMKIZECOSJZPBKD-UHFFFAOYSA-N
MW4158.35 g/mol
LogP83.57
Rot. Bonds4

About tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159591985) has the molecular formula C274H362Cl5F7N8OS2 and a molecular weight of 4158.35 g/mol. Its IUPAC name is tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nametert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID159591985
Molecular FormulaC274H362Cl5F7N8OS2
Molecular Weight4158.35 g/mol
Exact Mass4152.63
IUPAC Nametert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc(C(F)F)c1.CC(C)(C)c1cccc(C2CC2)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc(Cl)c1.CSc1cccc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(F)c(C(C)(C)C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20.C13H17N.3C13H15N.2C13H18.C12H16N2.C12H16O.C12H14S.2C11H15Cl.C11H14F2.3C11H15F.C11H16S.2C10H13Cl.2C10H13F.C10H15N.C10H14.C9H12ClN/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-6-4-5-11(9-12)10-7-8-10;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-10(12)9(7-8)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-8(10)6-11-5-7/h8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-6,9-10H,7-8H2,1-3H3;7-9H,4-6H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;2*5-7H,1-4H3;4-7,10H,1-3H3;3*5-7H,1-4H3;5-8H,1-4H3;4*4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyMKIZECOSJZPBKD-UHFFFAOYSA-N
XLogP83.57
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004158.35
LogP ≤ 583.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 159591985) is tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc(C(F)F)c1.CC(C)(C)c1cccc(C2CC2)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc(Cl)c1.CSc1cccc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1Cl.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(F)c(C(C)(C)C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MKIZECOSJZPBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C13H17N.3C13H15N.2C13H18.C12H16N2.C12H16O.C12H14S.2C11H15Cl.C11H14F2.3C11H15F.C11H16S.2C10H13Cl.2C10H13F.C10H15N.C10H14.C9H12ClN/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-6-4-5-11(9-12)10-7-8-10;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;1-8-5-6-10(12)9(7-8)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-8(10)6-11-5-7/h8-10H,4-7H2,1-3H3;5-9H,1-4H3;3*4-9H,1-3H3;4-6,9-10H,7-8H2,1-3H3;7-9H,4-6H2,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;2*5-7H,1-4H3;4-7,10H,1-3H3;3*5-7H,1-4H3;5-8H,1-4H3;4*4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3.
What are the key properties of tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 4158.35 g/mol, XLogP of 83.57, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;6-tert-butyl-1-benzothiophene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(4-tert-butyl-2-chloro-1-methylbenzene);3-tert-butyl-5-chloropyridine;1-tert-butyl-3-cyclopropylbenzene;1-tert-butyl-3-(difluoromethyl)benzene;5-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1-fluoro-4-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;1-tert-butyl-3-methylsulfanylbenzene;1-(3-tert-butylphenyl)ethanone;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159591985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).