2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene

C81H143F3 — CID 164948047

About 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene

2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene (PubChem CID 164948047) has the molecular formula C81H143F3 and a molecular weight of 1174.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene
• PubChem CID: 164948047
• Molecular Formula: C81H143F3
• Molecular Weight: 1174.03 g/mol
• Exact Mass: 1173.11
• IUPAC Name: 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene
• SMILES: CC.CC.CC.CC(C)(C)C.CCC1(C(F)(F)F)CCCC1.CCC1(C)CCCC1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C(C)(C)C.Cc1ccc(C(C)C)cc1C(C)C
• InChI: InChI=1S/C16H26.C15H24.C13H20.C10H14.C8H13F3.C8H16.C5H12.3C2H6/c1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-11-8-9-12(14(2,3)4)10-13(11)15(5,6)7;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-7-5-8(2)10(4)9(3)6-7;1-2-7(8(9,10)11)5-3-4-6-7;1-3-8(2)6-4-5-7-8;1-5(2,3)4;3*1-2/h8-12H,1-7H3;8-10H,1-7H3;6-10H,1-5H3;5-6H,1-4H3;2-6H2,1H3;3-7H2,1-2H3;1-4H3;3*1-2H3
• InChIKey: ADPQHDQBWVQGRS-UHFFFAOYSA-N
• XLogP: 28.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1174.03
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene?

The IUPAC name of 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene (CID 164948047) is 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene.

What is the SMILES notation for 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene?

The canonical SMILES for 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene is CC.CC.CC.CC(C)(C)C.CCC1(C(F)(F)F)CCCC1.CCC1(C)CCCC1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C(C)(C)C.Cc1ccc(C(C)C)cc1C(C)C.

What is the InChIKey of 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene?

The InChIKey is ADPQHDQBWVQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C15H24.C13H20.C10H14.C8H13F3.C8H16.C5H12.3C2H6/c1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;1-11-8-9-12(14(2,3)4)10-13(11)15(5,6)7;1-9(2)12-7-6-11(5)13(8-12)10(3)4;1-7-5-8(2)10(4)9(3)6-7;1-2-7(8(9,10)11)5-3-4-6-7;1-3-8(2)6-4-5-7-8;1-5(2,3)4;3*1-2/h8-12H,1-7H3;8-10H,1-7H3;6-10H,1-5H3;5-6H,1-4H3;2-6H2,1H3;3-7H2,1-2H3;1-4H3;3*1-2H3.

What are the key properties of 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene?

2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene has a molecular weight of 1174.03 g/mol, XLogP of 28.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-1-methylbenzene;2,2-dimethylpropane;ethane;1-ethyl-1-methylcyclopentane;1-ethyl-1-(trifluoromethyl)cyclopentane;1-methyl-2,4-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 164948047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).