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

C20H26Si — CID 12745874

IUPAC5,5-dibutylbenzo[b][1]benzosilole
SMILESCCCC[Si]1(CCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H26Si/c1-3-5-15-21(16-6-4-2)19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14H,3-6,15-16H2,1-2H3
InChIKeyZGDIEFNLKJTJFB-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.83
Rot. Bonds6

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

5,5-dibutylbenzo[b][1]benzosilole (PubChem CID 12745874) has the molecular formula C20H26Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 5,5-dibutylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-dibutylbenzo[b][1]benzosilole
PubChem CID12745874
Molecular FormulaC20H26Si
Molecular Weight294.51 g/mol
Exact Mass294.18
IUPAC Name5,5-dibutylbenzo[b][1]benzosilole
SMILESCCCC[Si]1(CCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H26Si/c1-3-5-15-21(16-6-4-2)19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14H,3-6,15-16H2,1-2H3
InChIKeyZGDIEFNLKJTJFB-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.83
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-dibutylbenzo[b][1]benzosilole?
The IUPAC name of 5,5-dibutylbenzo[b][1]benzosilole (CID 12745874) is 5,5-dibutylbenzo[b][1]benzosilole.
What is the SMILES notation for 5,5-dibutylbenzo[b][1]benzosilole?
The canonical SMILES for 5,5-dibutylbenzo[b][1]benzosilole is CCCC[Si]1(CCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 5,5-dibutylbenzo[b][1]benzosilole?
The InChIKey is ZGDIEFNLKJTJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Si/c1-3-5-15-21(16-6-4-2)19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 5,5-dibutylbenzo[b][1]benzosilole?
5,5-dibutylbenzo[b][1]benzosilole has a molecular weight of 294.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutylbenzo[b][1]benzosilole is sourced from PubChem (CID 12745874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).