1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane

C167H266BrClO — CID 159514313

About 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane

1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane (PubChem CID 159514313) has the molecular formula C167H266BrClO and a molecular weight of 2405.32 g/mol. Its IUPAC name is 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane.

Molecular Properties

• Compound Name: 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane
• PubChem CID: 159514313
• Molecular Formula: C167H266BrClO
• Molecular Weight: 2405.32 g/mol
• Exact Mass: 2401.96
• IUPAC Name: 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane
• SMILES: CC(C)(C)C1CCCCC1.CC(C)(C)CCc1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1ccccc1Cl.CC(C)C(C)(C)C.CCCC(C)C(C)(C)C.CCCC(CCC)C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C12H18.C11H16O.7C11H16.C11H24.C10H13Br.C10H13Cl.C10H20.C10H14.C9H20.C7H16/c1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)9-7-5-6-8-10(9)12-4;3*1-9-5-7-10(8-6-9)11(2,3)4;4*1-9-6-5-7-10(8-9)11(2,3)4;1-6-8-10(9-7-2)11(3,4)5;2*1-10(2,3)8-6-4-5-7-9(8)11;2*1-10(2,3)9-7-5-4-6-8-9;1-6-7-8(2)9(3,4)5;1-6(2)7(3,4)5/h4-8H,9-10H2,1-3H3;5-8H,1-4H3;7*5-8H,1-4H3;10H,6-9H2,1-5H3;2*4-7H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3
• InChIKey: MAZIZNRCJYKPQT-UHFFFAOYSA-N
• XLogP: 54.09
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2405.32
LogP ≤ 5	54.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane?

The IUPAC name of 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane (CID 159514313) is 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane.

What is the SMILES notation for 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane?

The canonical SMILES for 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane is CC(C)(C)C1CCCCC1.CC(C)(C)CCc1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Br.CC(C)(C)c1ccccc1Cl.CC(C)C(C)(C)C.CCCC(C)C(C)(C)C.CCCC(CCC)C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane?

The InChIKey is MAZIZNRCJYKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C11H16O.7C11H16.C11H24.C10H13Br.C10H13Cl.C10H20.C10H14.C9H20.C7H16/c1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)9-7-5-6-8-10(9)12-4;3*1-9-5-7-10(8-6-9)11(2,3)4;4*1-9-6-5-7-10(8-9)11(2,3)4;1-6-8-10(9-7-2)11(3,4)5;2*1-10(2,3)8-6-4-5-7-9(8)11;2*1-10(2,3)9-7-5-4-6-8-9;1-6-7-8(2)9(3,4)5;1-6(2)7(3,4)5/h4-8H,9-10H2,1-3H3;5-8H,1-4H3;7*5-8H,1-4H3;10H,6-9H2,1-5H3;2*4-7H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;8H,6-7H2,1-5H3;6H,1-5H3.

What are the key properties of 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane?

1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane has a molecular weight of 2405.32 g/mol, XLogP of 54.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-tert-butylbenzene;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;tert-butylcyclohexane;4-tert-butylheptane;1-tert-butyl-2-methoxybenzene;tetrakis(1-tert-butyl-3-methylbenzene);tris(1-tert-butyl-4-methylbenzene);3,3-dimethylbutylbenzene;2,2,3-trimethylbutane;2,2,3-trimethylhexane is sourced from PubChem (CID 159514313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).