1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane

C89H134Si5 — CID 157205321

IUPAC1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane
SMILESCc1c([Si](C)(C)C)cccc1[Si](C)(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc([Si](C)(C)C)cc1.Cc1cccc(C)c1C.Cc1cccc([Si](C)(C)C)c1.Cc1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H24Si2.3C10H16Si.C10H14.4C9H12/c1-11-12(14(2,3)4)9-8-10-13(11)15(5,6)7;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;2*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3/h8-10H,1-7H3;3*5-8H,1-4H3;5-6H,1-4H3;4*4-6H,1-3H3
InChIKeyARGZJFIIVCKUAF-UHFFFAOYSA-N
MW1344.48 g/mol
LogP24.07
Rot. Bonds5

About 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane

1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane (PubChem CID 157205321) has the molecular formula C89H134Si5 and a molecular weight of 1344.48 g/mol. Its IUPAC name is 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane.

Molecular Properties

Compound Name1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane
PubChem CID157205321
Molecular FormulaC89H134Si5
Molecular Weight1344.48 g/mol
Exact Mass1342.93
IUPAC Name1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane
SMILESCc1c([Si](C)(C)C)cccc1[Si](C)(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc([Si](C)(C)C)cc1.Cc1cccc(C)c1C.Cc1cccc([Si](C)(C)C)c1.Cc1ccccc1[Si](C)(C)C
InChIInChI=1S/C13H24Si2.3C10H16Si.C10H14.4C9H12/c1-11-12(14(2,3)4)9-8-10-13(11)15(5,6)7;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;2*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3/h8-10H,1-7H3;3*5-8H,1-4H3;5-6H,1-4H3;4*4-6H,1-3H3
InChIKeyARGZJFIIVCKUAF-UHFFFAOYSA-N
XLogP24.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms94
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.48
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane?
The IUPAC name of 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane (CID 157205321) is 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane.
What is the SMILES notation for 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane?
The canonical SMILES for 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane is Cc1c([Si](C)(C)C)cccc1[Si](C)(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cc(C)cc(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc([Si](C)(C)C)cc1.Cc1cccc(C)c1C.Cc1cccc([Si](C)(C)C)c1.Cc1ccccc1[Si](C)(C)C.
What is the InChIKey of 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane?
The InChIKey is ARGZJFIIVCKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Si2.3C10H16Si.C10H14.4C9H12/c1-11-12(14(2,3)4)9-8-10-13(11)15(5,6)7;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-7-5-8(2)10(4)9(3)6-7;1-7-4-8(2)6-9(3)5-7;2*1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3/h8-10H,1-7H3;3*5-8H,1-4H3;5-6H,1-4H3;4*4-6H,1-3H3.
What are the key properties of 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane?
1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane has a molecular weight of 1344.48 g/mol, XLogP of 24.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;trimethyl-(2-methylphenyl)silane;trimethyl-(3-methylphenyl)silane;trimethyl-(4-methylphenyl)silane;trimethyl-(2-methyl-3-trimethylsilylphenyl)silane is sourced from PubChem (CID 157205321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).