1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene

C107H167N — CID 158893317

About 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene

1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene (PubChem CID 158893317) has the molecular formula C107H167N and a molecular weight of 1467.52 g/mol. Its IUPAC name is 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene.

Molecular Properties

• Compound Name: 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene
• PubChem CID: 158893317
• Molecular Formula: C107H167N
• Molecular Weight: 1467.52 g/mol
• Exact Mass: 1466.31
• IUPAC Name: 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene
• SMILES: CCc1cccc(CC)c1C.Cc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1.Cc1cc(C(C)C)c(C)c(C(C)C)c1.Cc1cc(N(C)C)cc(C)c1C.Cc1ccccc1CC(C)C
• InChI: InChI=1S/C19H32.C16H26.C14H22.C13H20.C12H18.C11H17N.2C11H16/c1-13-15(18(5,6)7)11-14(17(2,3)4)12-16(13)19(8,9)10;1-11-9-13(15(3,4)5)12(2)14(10-11)16(6,7)8;1-9(2)13-7-11(5)8-14(10(3)4)12(13)6;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-8(2)10(4)12(6)11(5)9(7)3;1-8-6-11(12(4)5)7-9(2)10(8)3;1-9(2)8-11-7-5-4-6-10(11)3;1-4-10-7-6-8-11(5-2)9(10)3/h11-12H,1-10H3;9-10H,1-8H3;7-10H,1-6H3;6-10H,1-5H3;1-6H3;6-7H,1-5H3;4-7,9H,8H2,1-3H3;6-8H,4-5H2,1-3H3
• InChIKey: JEMYNCPFJSJVTG-UHFFFAOYSA-N
• XLogP: 32.11
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.52
LogP ≤ 5	32.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene?

The IUPAC name of 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene (CID 158893317) is 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene.

What is the SMILES notation for 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene?

The canonical SMILES for 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene is CCc1cccc(CC)c1C.Cc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.Cc1c(C(C)C)cccc1C(C)C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1.Cc1cc(C(C)C)c(C)c(C(C)C)c1.Cc1cc(N(C)C)cc(C)c1C.Cc1ccccc1CC(C)C.

What is the InChIKey of 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene?

The InChIKey is JEMYNCPFJSJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32.C16H26.C14H22.C13H20.C12H18.C11H17N.2C11H16/c1-13-15(18(5,6)7)11-14(17(2,3)4)12-16(13)19(8,9)10;1-11-9-13(15(3,4)5)12(2)14(10-11)16(6,7)8;1-9(2)13-7-11(5)8-14(10(3)4)12(13)6;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-8(2)10(4)12(6)11(5)9(7)3;1-8-6-11(12(4)5)7-9(2)10(8)3;1-9(2)8-11-7-5-4-6-10(11)3;1-4-10-7-6-8-11(5-2)9(10)3/h11-12H,1-10H3;9-10H,1-8H3;7-10H,1-6H3;6-10H,1-5H3;1-6H3;6-7H,1-5H3;4-7,9H,8H2,1-3H3;6-8H,4-5H2,1-3H3.

What are the key properties of 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene?

1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene has a molecular weight of 1467.52 g/mol, XLogP of 32.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-ditert-butyl-2,5-dimethylbenzene;1,3-diethyl-2-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;1,2,3,4,5,6-hexamethylbenzene;2-methyl-1,3-di(propan-2-yl)benzene;1-methyl-2-(2-methylpropyl)benzene;N,N,3,4,5-pentamethylaniline;1,3,5-tritert-butyl-2-methylbenzene is sourced from PubChem (CID 158893317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).