1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene

C82H108 — CID 158803198

About 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene

1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene (PubChem CID 158803198) has the molecular formula C82H108 and a molecular weight of 1093.77 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene
• PubChem CID: 158803198
• Molecular Formula: C82H108
• Molecular Weight: 1093.77 g/mol
• Exact Mass: 1092.85
• IUPAC Name: 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene
• SMILES: Cc1cc(-c2cc(C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.Cc1cc(C)cc(-c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C2CCCCC2)c1.Cc1ccc(-c2cc(C)cc(C(C)(C)C)c2)cc1
• InChI: InChI=1S/C22H30.C18H22.C16H18.C14H20.C12H18/c1-15-9-17(13-19(11-15)21(3,4)5)18-10-16(2)12-20(14-18)22(6,7)8;1-13-6-8-15(9-7-13)16-10-14(2)11-17(12-16)18(3,4)5;1-11-5-12(2)8-15(7-11)16-9-13(3)6-14(4)10-16;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-6-10(2)8-11(7-9)12(3,4)5/h9-14H,1-8H3;6-12H,1-5H3;5-10H,1-4H3;8-10,13H,3-7H2,1-2H3;6-8H,1-5H3
• InChIKey: ITTBAZUILVNARO-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.77
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene?

The IUPAC name of 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene (CID 158803198) is 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene.

What is the SMILES notation for 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene?

The canonical SMILES for 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene is Cc1cc(-c2cc(C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.Cc1cc(C)cc(-c2cc(C)cc(C)c2)c1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C2CCCCC2)c1.Cc1ccc(-c2cc(C)cc(C(C)(C)C)c2)cc1.

What is the InChIKey of 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene?

The InChIKey is ITTBAZUILVNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30.C18H22.C16H18.C14H20.C12H18/c1-15-9-17(13-19(11-15)21(3,4)5)18-10-16(2)12-20(14-18)22(6,7)8;1-13-6-8-15(9-7-13)16-10-14(2)11-17(12-16)18(3,4)5;1-11-5-12(2)8-15(7-11)16-9-13(3)6-14(4)10-16;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-6-10(2)8-11(7-9)12(3,4)5/h9-14H,1-8H3;6-12H,1-5H3;5-10H,1-4H3;8-10,13H,3-7H2,1-2H3;6-8H,1-5H3.

What are the key properties of 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene?

1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene has a molecular weight of 1093.77 g/mol, XLogP of 24.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene is sourced from PubChem (CID 158803198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).