1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene

C61H109F3Si2 — CID 163496464

About 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene

1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene (PubChem CID 163496464) has the molecular formula C61H109F3Si2 and a molecular weight of 955.71 g/mol. Its IUPAC name is 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene.

Molecular Properties

• Compound Name: 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene
• PubChem CID: 163496464
• Molecular Formula: C61H109F3Si2
• Molecular Weight: 955.71 g/mol
• Exact Mass: 954.80
• IUPAC Name: 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene
• SMILES: CC1CCC(C)(C(F)(F)F)CC1.CC1CCC(C)(C)CC1.CC1CCCCC1.CC[Si](C)(CC)CC.C[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C(C)C
• InChI: InChI=1S/C10H14.C9H15F3.C9H18.C8H10.C7H18Si.C7H14.C7H8.C4H12Si/c1-8(2)10-7-5-4-6-9(10)3;1-7-3-5-8(2,6-4-7)9(10,11)12;1-8-4-6-9(2,3)7-5-8;1-7-5-3-4-6-8(7)2;1-5-8(4,6-2)7-3;2*1-7-5-3-2-4-6-7;1-5(2,3)4/h4-8H,1-3H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5-7H2,1-4H3;7H,2-6H2,1H3;2-6H,1H3;1-4H3
• InChIKey: CRDHMPYWIZGZJA-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.71
LogP ≤ 5	22.07
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 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene?

The IUPAC name of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene (CID 163496464) is 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene.

What is the SMILES notation for 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene?

The canonical SMILES for 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene is CC1CCC(C)(C(F)(F)F)CC1.CC1CCC(C)(C)CC1.CC1CCCCC1.CC[Si](C)(CC)CC.C[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C(C)C.

What is the InChIKey of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene?

The InChIKey is CRDHMPYWIZGZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H15F3.C9H18.C8H10.C7H18Si.C7H14.C7H8.C4H12Si/c1-8(2)10-7-5-4-6-9(10)3;1-7-3-5-8(2,6-4-7)9(10,11)12;1-8-4-6-9(2,3)7-5-8;1-7-5-3-4-6-8(7)2;1-5-8(4,6-2)7-3;2*1-7-5-3-2-4-6-7;1-5(2,3)4/h4-8H,1-3H3;7H,3-6H2,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5-7H2,1-4H3;7H,2-6H2,1H3;2-6H,1H3;1-4H3.

What are the key properties of 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene?

1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene has a molecular weight of 955.71 g/mol, XLogP of 22.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-1-(trifluoromethyl)cyclohexane;methylcyclohexane;1-methyl-2-propan-2-ylbenzene;tetramethylsilane;toluene;triethyl(methyl)silane;1,1,4-trimethylcyclohexane;1,2-xylene is sourced from PubChem (CID 163496464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).