2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane

C24H28Br2Si — CID 11237436

About 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane

2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane (PubChem CID 11237436) has the molecular formula C24H28Br2Si and a molecular weight of 504.38 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane
• PubChem CID: 11237436
• Molecular Formula: C24H28Br2Si
• Molecular Weight: 504.38 g/mol
• Exact Mass: 502.03
• IUPAC Name: 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane
• SMILES: CC1=CC(C(C)(C)C)=C[C+](C)C1=C=c1c(Br)cc(=C=[C-][Si](C)(C)C)cc1Br
• InChI: InChI=1S/C24H28Br2Si/c1-16-11-19(24(3,4)5)12-17(2)20(16)15-21-22(25)13-18(14-23(21)26)9-10-27(6,7)8/h11-14H,1-8H3
• InChIKey: YEBCMAQPGYNWQO-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.38
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?

The IUPAC name of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane (CID 11237436) is 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane.

What is the SMILES notation for 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?

The canonical SMILES for 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane is CC1=CC(C(C)(C)C)=C[C+](C)C1=C=c1c(Br)cc(=C=[C-][Si](C)(C)C)cc1Br.

What is the InChIKey of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?

The InChIKey is YEBCMAQPGYNWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Br2Si/c1-16-11-19(24(3,4)5)12-17(2)20(16)15-21-22(25)13-18(14-23(21)26)9-10-27(6,7)8/h11-14H,1-8H3.

What are the key properties of 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane?

2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane has a molecular weight of 504.38 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dibromo-4-[(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-ylidene)methylidene]cyclohexa-2,5-dien-1-ylidene]ethenyl-trimethylsilane is sourced from PubChem (CID 11237436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).