tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane

C230H330ClF2NO — CID 158242535

About tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane

tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane (PubChem CID 158242535) has the molecular formula C230H330ClF2NO and a molecular weight of 3198.62 g/mol. Its IUPAC name is tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane.

Molecular Properties

• Compound Name: tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane
• PubChem CID: 158242535
• Molecular Formula: C230H330ClF2NO
• Molecular Weight: 3198.62 g/mol
• Exact Mass: 3195.55
• IUPAC Name: tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane
• SMILES: C=CC1CCC(C(C)(C)C)CC1.C=CC1CCC(C(C)(C)C)CC1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1cccc(C(C)(C)C)c1.C=Cc1cccc(C(C)(C)C)c1.C=Cc1cccc(C(C)(C)C)c1.CC(C)(C)C.CC(C)(C)c1cccc(C#N)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.COc1cccc(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.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/2C12H22.7C12H16.C11H13N.C11H16O.5C11H16.C10H13Cl.2C10H13F.C10H14.C5H12/c6*1-5-10-6-8-11(9-7-10)12(2,3)4;3*1-5-10-7-6-8-11(9-10)12(2,3)4;1-11(2,3)10-6-4-5-9(7-10)8-12;1-11(2,3)9-6-5-7-10(8-9)12-4;4*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;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;1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h2*5,10-11H,1,6-9H2,2-4H3;7*5-9H,1H2,2-4H3;4-7H,1-3H3;5-8H,1-4H3;5*5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;1-4H3
• InChIKey: GFSJPXBZDTYXJN-UHFFFAOYSA-N
• XLogP: 70.67
• TPSA: 33.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3198.62
LogP ≤ 5	70.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane?

The IUPAC name of tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane (CID 158242535) is tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane.

What is the SMILES notation for tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane?

The canonical SMILES for tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane is C=CC1CCC(C(C)(C)C)CC1.C=CC1CCC(C(C)(C)C)CC1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1ccc(C(C)(C)C)cc1.C=Cc1cccc(C(C)(C)C)c1.C=Cc1cccc(C(C)(C)C)c1.C=Cc1cccc(C(C)(C)C)c1.CC(C)(C)C.CC(C)(C)c1cccc(C#N)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.COc1cccc(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.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane?

The InChIKey is GFSJPXBZDTYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22.7C12H16.C11H13N.C11H16O.5C11H16.C10H13Cl.2C10H13F.C10H14.C5H12/c6*1-5-10-6-8-11(9-7-10)12(2,3)4;3*1-5-10-7-6-8-11(9-10)12(2,3)4;1-11(2,3)10-6-4-5-9(7-10)8-12;1-11(2,3)9-6-5-7-10(8-9)12-4;4*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;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;1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h2*5,10-11H,1,6-9H2,2-4H3;7*5-9H,1H2,2-4H3;4-7H,1-3H3;5-8H,1-4H3;5*5-8H,1-4H3;3*4-7H,1-3H3;4-8H,1-3H3;1-4H3.

What are the key properties of tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane?

tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane has a molecular weight of 3198.62 g/mol, XLogP of 70.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;3-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;tris(1-tert-butyl-3-ethenylbenzene);tetrakis(1-tert-butyl-4-ethenylbenzene);bis(1-tert-butyl-4-ethenylcyclohexane);1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-3-methylbenzene;tetrakis(1-tert-butyl-4-methylbenzene);2,2-dimethylpropane is sourced from PubChem (CID 158242535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).