[(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane

C26H47BrOSi — CID 11092087

About [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane

[(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11092087) has the molecular formula C26H47BrOSi and a molecular weight of 483.65 g/mol. Its IUPAC name is [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane
• PubChem CID: 11092087
• Molecular Formula: C26H47BrOSi
• Molecular Weight: 483.65 g/mol
• Exact Mass: 482.26
• IUPAC Name: [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane
• SMILES: CC1=C(CC/C(C)=C/CC/C(=C\CBr)CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
• InChI: InChI=1S/C26H47BrOSi/c1-21(15-16-24-22(2)13-11-18-26(24,6)7)12-10-14-23(17-19-27)20-28-29(8,9)25(3,4)5/h12,17H,10-11,13-16,18-20H2,1-9H3/b21-12+,23-17+
• InChIKey: VKMSGLGPASGDFK-RHAPCSKMSA-N
• XLogP: 9.36
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane (CID 11092087) is [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane is CC1=C(CC/C(C)=C/CC/C(=C\CBr)CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1.

What is the InChIKey of [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane?

The InChIKey is VKMSGLGPASGDFK-RHAPCSKMSA-N. The full InChI is InChI=1S/C26H47BrOSi/c1-21(15-16-24-22(2)13-11-18-26(24,6)7)12-10-14-23(17-19-27)20-28-29(8,9)25(3,4)5/h12,17H,10-11,13-16,18-20H2,1-9H3/b21-12+,23-17+.

What are the key properties of [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane?

[(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 483.65 g/mol, XLogP of 9.36, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,2E)-2-(2-bromoethylidene)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11092087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).