1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene

C132H216 — CID 161162922

About 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene

1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene (PubChem CID 161162922) has the molecular formula C132H216 and a molecular weight of 1803.18 g/mol. Its IUPAC name is 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene.

Molecular Properties

• Compound Name: 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene
• PubChem CID: 161162922
• Molecular Formula: C132H216
• Molecular Weight: 1803.18 g/mol
• Exact Mass: 1801.69
• IUPAC Name: 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene
• SMILES: Cc1c(C)c(C(C)(C)C)c(C(C)(C)C)c(C)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)c(C(C)(C)C)cc1C.Cc1cc(C)c(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)c1C.Cc1ccc(C)c(C(C)(C)C)c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C(C)(C)C
• InChI: InChI=1S/C21H36.C17H28.4C16H26.2C15H24/c1-13-14(2)17(20(7,8)9)18(21(10,11)12)15(3)16(13)19(4,5)6;1-11-10-14(16(4,5)6)15(17(7,8)9)13(3)12(11)2;1-11-9-13(15(3,4)5)14(10-12(11)2)16(6,7)8;1-11-9-12(2)14(16(6,7)8)13(10-11)15(3,4)5;1-11-9-10-13(15(3,4)5)14(12(11)2)16(6,7)8;1-11-9-10-12(2)14(16(6,7)8)13(11)15(3,4)5;1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-11-9-8-10-12(14(2,3)4)13(11)15(5,6)7/h1-12H3;10H,1-9H3;4*9-10H,1-8H3;2*8-10H,1-7H3
• InChIKey: UQDSVYUDQIJROQ-UHFFFAOYSA-N
• XLogP: 40.49
• TPSA: 0.00 Ų
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1803.18
LogP ≤ 5	40.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene?

The IUPAC name of 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene (CID 161162922) is 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene.

What is the SMILES notation for 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene?

The canonical SMILES for 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene is Cc1c(C)c(C(C)(C)C)c(C(C)(C)C)c(C)c1C(C)(C)C.Cc1cc(C(C)(C)C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)c(C(C)(C)C)cc1C.Cc1cc(C)c(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)c1C.Cc1ccc(C)c(C(C)(C)C)c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C(C)(C)C.

What is the InChIKey of 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene?

The InChIKey is UQDSVYUDQIJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36.C17H28.4C16H26.2C15H24/c1-13-14(2)17(20(7,8)9)18(21(10,11)12)15(3)16(13)19(4,5)6;1-11-10-14(16(4,5)6)15(17(7,8)9)13(3)12(11)2;1-11-9-13(15(3,4)5)14(10-12(11)2)16(6,7)8;1-11-9-12(2)14(16(6,7)8)13(10-11)15(3,4)5;1-11-9-10-13(15(3,4)5)14(12(11)2)16(6,7)8;1-11-9-10-12(2)14(16(6,7)8)13(11)15(3,4)5;1-11-8-9-12(14(2,3)4)13(10-11)15(5,6)7;1-11-9-8-10-12(14(2,3)4)13(11)15(5,6)7/h1-12H3;10H,1-9H3;4*9-10H,1-8H3;2*8-10H,1-7H3.

What are the key properties of 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene?

1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene has a molecular weight of 1803.18 g/mol, XLogP of 40.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene is sourced from PubChem (CID 161162922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).