bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane

C216H345Cl2F2N3OS — CID 160719548

About bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane

bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane (PubChem CID 160719548) has the molecular formula C216H345Cl2F2N3OS and a molecular weight of 3141.12 g/mol. Its IUPAC name is bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane.

Molecular Properties

• Compound Name: bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane
• PubChem CID: 160719548
• Molecular Formula: C216H345Cl2F2N3OS
• Molecular Weight: 3141.12 g/mol
• Exact Mass: 3137.61
• IUPAC Name: bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane
• SMILES: CC(C)(C)C1CC=CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccs1.CC(C)C(C)(C)C.CCC(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(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/C13H15N.C12H15N.C12H19N.C11H16O.3C11H16.2C10H13Cl.2C10H13F.2C10H20.C10H18.2C10H14.C9H18.C8H12S.C8H18.2C7H16.C6H14/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-11(2,3)9-5-7-10(12-4)8-6-9;3*1-9-5-7-10(8-6-9)11(2,3)4;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)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;5*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7;1-5-6-7-8(2,3)4;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4/h4-9H,1-3H3;4-8,13H,1-3H3;6-9H,1-5H3;5-8H,1-4H3;3*5-8H,1-4H3;4*4-7H,1-3H3;2*9H,4-8H2,1-3H3;4-5,9H,6-8H2,1-3H3;2*4-8H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;5-7H2,1-4H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3
• InChIKey: RSXNMJRFLQUVDW-UHFFFAOYSA-N
• XLogP: 70.48
• TPSA: 41.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3141.12
LogP ≤ 5	70.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane?

The IUPAC name of bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane (CID 160719548) is bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane.

What is the SMILES notation for bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane?

The canonical SMILES for bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane is CC(C)(C)C1CC=CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)c1cccs1.CC(C)C(C)(C)C.CCC(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccc(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 bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane?

The InChIKey is RSXNMJRFLQUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H15N.C12H19N.C11H16O.3C11H16.2C10H13Cl.2C10H13F.2C10H20.C10H18.2C10H14.C9H18.C8H12S.C8H18.2C7H16.C6H14/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-11(2,3)9-5-7-10(12-4)8-6-9;3*1-9-5-7-10(8-6-9)11(2,3)4;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)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;5*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7;1-5-6-7-8(2,3)4;1-6(2)7(3,4)5;1-5-6-7(2,3)4;1-5-6(2,3)4/h4-9H,1-3H3;4-8,13H,1-3H3;6-9H,1-5H3;5-8H,1-4H3;3*5-8H,1-4H3;4*4-7H,1-3H3;2*9H,4-8H2,1-3H3;4-5,9H,6-8H2,1-3H3;2*4-8H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;5-7H2,1-4H3;6H,1-5H3;5-6H2,1-4H3;5H2,1-4H3.

What are the key properties of bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane?

bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane has a molecular weight of 3141.12 g/mol, XLogP of 70.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butylbenzene);1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;bis(tert-butylcyclohexane);4-tert-butylcyclohexene;tert-butylcyclopentane;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;tris(1-tert-butyl-4-methylbenzene);8-tert-butylquinoline;2-tert-butylthiophene;2,2-dimethylbutane;2,2-dimethylhexane;2,2-dimethylpentane;2,2,3-trimethylbutane is sourced from PubChem (CID 160719548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).