5,5-diethylbenzo[b][1]benzosilole

C16H18Si — CID 54171912

IUPAC5,5-diethylbenzo[b][1]benzosilole
SMILESCC[Si]1(CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H18Si/c1-3-17(4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3
InChIKeyOVPJHJAPMDLNLT-UHFFFAOYSA-N
MW238.41 g/mol
LogP3.27
Rot. Bonds2

About 5,5-diethylbenzo[b][1]benzosilole

5,5-diethylbenzo[b][1]benzosilole (PubChem CID 54171912) has the molecular formula C16H18Si and a molecular weight of 238.41 g/mol. Its IUPAC name is 5,5-diethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-diethylbenzo[b][1]benzosilole
PubChem CID54171912
Molecular FormulaC16H18Si
Molecular Weight238.41 g/mol
Exact Mass238.12
IUPAC Name5,5-diethylbenzo[b][1]benzosilole
SMILESCC[Si]1(CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H18Si/c1-3-17(4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3
InChIKeyOVPJHJAPMDLNLT-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 53.27
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 5,5-diethylbenzo[b][1]benzosilole?
The IUPAC name of 5,5-diethylbenzo[b][1]benzosilole (CID 54171912) is 5,5-diethylbenzo[b][1]benzosilole.
What is the SMILES notation for 5,5-diethylbenzo[b][1]benzosilole?
The canonical SMILES for 5,5-diethylbenzo[b][1]benzosilole is CC[Si]1(CC)c2ccccc2-c2ccccc21.
What is the InChIKey of 5,5-diethylbenzo[b][1]benzosilole?
The InChIKey is OVPJHJAPMDLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Si/c1-3-17(4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12H,3-4H2,1-2H3.
What are the key properties of 5,5-diethylbenzo[b][1]benzosilole?
5,5-diethylbenzo[b][1]benzosilole has a molecular weight of 238.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethylbenzo[b][1]benzosilole is sourced from PubChem (CID 54171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).