bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene

C131H194F8O3 — CID 159722061

About bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene

bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene (PubChem CID 159722061) has the molecular formula C131H194F8O3 and a molecular weight of 1968.97 g/mol. Its IUPAC name is bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene.

Molecular Properties

• Compound Name: bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene
• PubChem CID: 159722061
• Molecular Formula: C131H194F8O3
• Molecular Weight: 1968.97 g/mol
• Exact Mass: 1967.49
• IUPAC Name: bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene
• SMILES: C.C.C.CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C18H30.C12H15F3O.C12H15F3.2C11H15F.2C11H16O.2C11H16.2C10H14.3CH4/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-11(2,3)8-5-6-10(16-4)9(7-8)12(13,14)15;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;;;/h10-12H,1-9H3;5-7H,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;2*5-8H,1-4H3;2*5-8H,1-4H3;2*4-8H,1-3H3;3*1H4
• InChIKey: NADVPIHPOAPZKW-UHFFFAOYSA-N
• XLogP: 41.21
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1968.97
LogP ≤ 5	41.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene?

The IUPAC name of bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene (CID 159722061) is bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene.

What is the SMILES notation for bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene?

The canonical SMILES for bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene is C.C.C.CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1cccc(C(C)(C)C)c1.

What is the InChIKey of bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene?

The InChIKey is NADVPIHPOAPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C12H15F3O.C12H15F3.2C11H15F.2C11H16O.2C11H16.2C10H14.3CH4/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-11(2,3)8-5-6-10(16-4)9(7-8)12(13,14)15;1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;;;/h10-12H,1-9H3;5-7H,1-4H3;5-7H,1-4H3;2*5-7H,1-4H3;2*5-8H,1-4H3;2*5-8H,1-4H3;2*4-8H,1-3H3;3*1H4.

What are the key properties of bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene?

bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene has a molecular weight of 1968.97 g/mol, XLogP of 41.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene is sourced from PubChem (CID 159722061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).