1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene

C100H154Si2 — CID 165007689

About 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene

1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene (PubChem CID 165007689) has the molecular formula C100H154Si2 and a molecular weight of 1412.50 g/mol. Its IUPAC name is 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene
• PubChem CID: 165007689
• Molecular Formula: C100H154Si2
• Molecular Weight: 1412.50 g/mol
• Exact Mass: 1411.16
• IUPAC Name: 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene
• SMILES: CC[Si](C)(CC)CC.C[Si](C)(C)C.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C(C)(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)C
• InChI: InChI=1S/C15H24.2C11H16.2C10H14.C9H12.2C8H10.C7H18Si.C7H8.C4H12Si/c1-11-8-9-12(14(2,3)4)10-13(11)15(5,6)7;1-8(2)11-7-9(3)5-6-10(11)4;1-9-7-5-6-8-10(9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-7-5-4-6-9(10)3;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-4-6-8(7)2;1-5-8(4,6-2)7-3;1-7-5-3-2-4-6-7;1-5(2,3)4/h8-10H,1-7H3;2*5-8H,1-4H3;5-6H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3;5-7H2,1-4H3;2-6H,1H3;1-4H3
• InChIKey: JFHRSFAUNXLSIC-UHFFFAOYSA-N
• XLogP: 31.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1412.50
LogP ≤ 5	31.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene?

The IUPAC name of 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene (CID 165007689) is 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene.

What is the SMILES notation for 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene?

The canonical SMILES for 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene is CC[Si](C)(CC)CC.C[Si](C)(C)C.Cc1cc(C)c(C)c(C)c1.Cc1ccc(C(C)(C)C)cc1C(C)(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)C.

What is the InChIKey of 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene?

The InChIKey is JFHRSFAUNXLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.2C11H16.2C10H14.C9H12.2C8H10.C7H18Si.C7H8.C4H12Si/c1-11-8-9-12(14(2,3)4)10-13(11)15(5,6)7;1-8(2)11-7-9(3)5-6-10(11)4;1-9-7-5-6-8-10(9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-8(2)10-7-5-4-6-9(10)3;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-4-6-8(7)2;1-5-8(4,6-2)7-3;1-7-5-3-2-4-6-7;1-5(2,3)4/h8-10H,1-7H3;2*5-8H,1-4H3;5-6H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3;5-7H2,1-4H3;2-6H,1H3;1-4H3.

What are the key properties of 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene?

1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene has a molecular weight of 1412.50 g/mol, XLogP of 31.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-methylbenzene;2,4-ditert-butyl-1-methylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1,2,3,5-tetramethylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,2,4-trimethylbenzene;1,2-xylene;1,4-xylene is sourced from PubChem (CID 165007689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).