tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane

C230H320Cl2F3N3O4 — CID 160526599

About tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane

tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane (PubChem CID 160526599) has the molecular formula C230H320Cl2F3N3O4 and a molecular weight of 3319.01 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane.

Molecular Properties

• Compound Name: tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane
• PubChem CID: 160526599
• Molecular Formula: C230H320Cl2F3N3O4
• Molecular Weight: 3319.01 g/mol
• Exact Mass: 3315.43
• IUPAC Name: tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane
• SMILES: CC(C)(C)C.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/2C14H16.C13H15N.C13H20.C12H18.C11H13F3.2C11H16O.7C11H16.2C10H13Cl.C10H13NO2.C10H14.C9H13N.C5H12/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9-6-7-11(10(2)8-9)12(3,4)5;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;7*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-5(2,3)4/h2*4-10H,1-3H3;4-9H,1-3H3;6-10H,1-5H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;7*5-8H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;1-4H3
• InChIKey: QUZFHGRRSOQUEZ-UHFFFAOYSA-N
• XLogP: 70.13
• TPSA: 87.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3319.01
LogP ≤ 5	70.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane?

The IUPAC name of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane (CID 160526599) is tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane.

What is the SMILES notation for tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane?

The canonical SMILES for tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc([N+](=O)[O-])cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)c1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.

What is the InChIKey of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane?

The InChIKey is QUZFHGRRSOQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C13H15N.C13H20.C12H18.C11H13F3.2C11H16O.7C11H16.2C10H13Cl.C10H13NO2.C10H14.C9H13N.C5H12/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9-6-7-11(10(2)8-9)12(3,4)5;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;7*1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-4-6-9(7-5-8)11(12)13;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-5(2,3)4/h2*4-10H,1-3H3;4-9H,1-3H3;6-10H,1-5H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;7*5-8H,1-4H3;2*4-7H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;1-4H3.

What are the key properties of tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane?

tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane has a molecular weight of 3319.01 g/mol, XLogP of 70.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-dimethylbenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;heptakis(1-tert-butyl-4-methylbenzene);1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butyl-4-nitrobenzene;1-tert-butyl-4-propan-2-ylbenzene;3-tert-butylpyridine;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylpropane is sourced from PubChem (CID 160526599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).