5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane

C111H182 — CID 165070183

About 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane

5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane (PubChem CID 165070183) has the molecular formula C111H182 and a molecular weight of 1532.77 g/mol. Its IUPAC name is 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane.

Molecular Properties

• Compound Name: 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane
• PubChem CID: 165070183
• Molecular Formula: C111H182
• Molecular Weight: 1532.77 g/mol
• Exact Mass: 1531.52
• IUPAC Name: 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane
• SMILES: CC.CC.CC(C)(C)C.Cc1ccc(C2CCC(C)(C)CC2)cc1.Cc1ccc(C2CCC(C)(C)CC2)cc1C.Cc1ccc(CC(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1C.[2H]C(C)(C)c1cc(C(C)(C)C)cc(C([2H])(C)C)c1C.[2H]C(C)(C)c1cc(C([2H])(C)C([2H])([2H])[2H])c(C)c(C([2H])(C)C([2H])([2H])[2H])c1.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1C
• InChI: InChI=1S/C17H28.C16H24.C16H26.C15H22.2C13H20.C12H18.C5H12.2C2H6/c1-11(2)15-9-14(17(6,7)8)10-16(12(3)4)13(15)5;1-12-5-6-15(11-13(12)2)14-7-9-16(3,4)10-8-14;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-12-4-6-13(7-5-12)14-8-10-15(2,3)11-9-14;1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-10-5-7-11(8-6-10)9-12(2,3)4;1-5(2,3)4;2*1-2/h9-12H,1-8H3;5-6,11,14H,7-10H2,1-4H3;8-12H,1-7H3;4-7,14H,8-11H2,1-3H3;6-8H,9H2,1-5H3;6-10H,1-5H3;5-8H,9H2,1-4H3;1-4H3;2*1-2H3/i11D,12D;;3D3,5D3,10D,11D,12D;;;1D3,9D,10D
• InChIKey: SPZNABJKGXEFMM-YNZKULSWSA-N
• XLogP: 36.39
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1532.77
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane?

The IUPAC name of 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane (CID 165070183) is 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane.

What is the SMILES notation for 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane?

The canonical SMILES for 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane is CC.CC.CC(C)(C)C.Cc1ccc(C2CCC(C)(C)CC2)cc1.Cc1ccc(C2CCC(C)(C)CC2)cc1C.Cc1ccc(CC(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1C.[2H]C(C)(C)c1cc(C(C)(C)C)cc(C([2H])(C)C)c1C.[2H]C(C)(C)c1cc(C([2H])(C)C([2H])([2H])[2H])c(C)c(C([2H])(C)C([2H])([2H])[2H])c1.[2H]C(C)(C)c1cccc(C([2H])(C)C([2H])([2H])[2H])c1C.

What is the InChIKey of 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane?

The InChIKey is SPZNABJKGXEFMM-YNZKULSWSA-N. The full InChI is InChI=1S/C17H28.C16H24.C16H26.C15H22.2C13H20.C12H18.C5H12.2C2H6/c1-11(2)15-9-14(17(6,7)8)10-16(12(3)4)13(15)5;1-12-5-6-15(11-13(12)2)14-7-9-16(3,4)10-8-14;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-12-4-6-13(7-5-12)14-8-10-15(2,3)11-9-14;1-10-6-7-12(8-11(10)2)9-13(3,4)5;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-10-5-7-11(8-6-10)9-12(2,3)4;1-5(2,3)4;2*1-2/h9-12H,1-8H3;5-6,11,14H,7-10H2,1-4H3;8-12H,1-7H3;4-7,14H,8-11H2,1-3H3;6-8H,9H2,1-5H3;6-10H,1-5H3;5-8H,9H2,1-4H3;1-4H3;2*1-2H3/i11D,12D;;3D3,5D3,10D,11D,12D;;;1D3,9D,10D;;;;.

What are the key properties of 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane?

5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane has a molecular weight of 1532.77 g/mol, XLogP of 36.39, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,3-bis(2-deuteriopropan-2-yl)-2-methylbenzene;5-(2-deuteriopropan-2-yl)-2-methyl-1,3-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene;1-(2-deuteriopropan-2-yl)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)benzene;4-(4,4-dimethylcyclohexyl)-1,2-dimethylbenzene;1-(4,4-dimethylcyclohexyl)-4-methylbenzene;2,2-dimethylpropane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;ethane is sourced from PubChem (CID 165070183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).