7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene

C16H18Si — CID 174023469

IUPAC7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene
SMILESCC1(C)c2ccccc2[Si]1(C)c1ccccc1
InChIInChI=1S/C16H18Si/c1-16(2)14-11-7-8-12-15(14)17(16,3)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyAMTWYOCIRLFWTP-UHFFFAOYSA-N
MW238.41 g/mol
LogP2.71
Rot. Bonds1

About 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene

7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 174023469) has the molecular formula C16H18Si and a molecular weight of 238.41 g/mol. Its IUPAC name is 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID174023469
Molecular FormulaC16H18Si
Molecular Weight238.41 g/mol
Exact Mass238.12
IUPAC Name7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene
SMILESCC1(C)c2ccccc2[Si]1(C)c1ccccc1
InChIInChI=1S/C16H18Si/c1-16(2)14-11-7-8-12-15(14)17(16,3)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyAMTWYOCIRLFWTP-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene (CID 174023469) is 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene is CC1(C)c2ccccc2[Si]1(C)c1ccccc1.
What is the InChIKey of 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is AMTWYOCIRLFWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Si/c1-16(2)14-11-7-8-12-15(14)17(16,3)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene?
7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 238.41 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8-trimethyl-7-phenyl-7-silabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 174023469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).