[(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane

C24H44OSi2 — CID 15422154

IUPAC[(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@]1(C(C)(C)C)c2ccccc2[C@H]1[Si](CC)(CC)CC
InChIInChI=1S/C24H44OSi2/c1-10-26(11-2,12-3)22-20-18-16-17-19-21(20)24(22,23(7,8)9)25-27(13-4,14-5)15-6/h16-19,22H,10-15H2,1-9H3/t22-,24-/m1/s1
InChIKeyFLXDDBMKVVGVLT-ISKFKSNPSA-N
MW404.79 g/mol
LogP8.09
Rot. Bonds9

About [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane

[(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane (PubChem CID 15422154) has the molecular formula C24H44OSi2 and a molecular weight of 404.79 g/mol. Its IUPAC name is [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane.

Molecular Properties

Compound Name[(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane
PubChem CID15422154
Molecular FormulaC24H44OSi2
Molecular Weight404.79 g/mol
Exact Mass404.29
IUPAC Name[(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@]1(C(C)(C)C)c2ccccc2[C@H]1[Si](CC)(CC)CC
InChIInChI=1S/C24H44OSi2/c1-10-26(11-2,12-3)22-20-18-16-17-19-21(20)24(22,23(7,8)9)25-27(13-4,14-5)15-6/h16-19,22H,10-15H2,1-9H3/t22-,24-/m1/s1
InChIKeyFLXDDBMKVVGVLT-ISKFKSNPSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.79
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane?
The IUPAC name of [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane (CID 15422154) is [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane.
What is the SMILES notation for [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane?
The canonical SMILES for [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@]1(C(C)(C)C)c2ccccc2[C@H]1[Si](CC)(CC)CC.
What is the InChIKey of [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane?
The InChIKey is FLXDDBMKVVGVLT-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H44OSi2/c1-10-26(11-2,12-3)22-20-18-16-17-19-21(20)24(22,23(7,8)9)25-27(13-4,14-5)15-6/h16-19,22H,10-15H2,1-9H3/t22-,24-/m1/s1.
What are the key properties of [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane?
[(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane has a molecular weight of 404.79 g/mol, XLogP of 8.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8R)-7-tert-butyl-8-triethylsilyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]oxy-triethylsilane is sourced from PubChem (CID 15422154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).