2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan

C18H16OSi — CID 153288757

IUPAC2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
SMILESC[Si]1(C)c2ccccc2-c2cc(-c3ccco3)ccc21
InChIInChI=1S/C18H16OSi/c1-20(2)17-8-4-3-6-14(17)15-12-13(9-10-18(15)20)16-7-5-11-19-16/h3-12H,1-2H3
InChIKeyBJHWKFPPTFTAJR-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.75
Rot. Bonds1

About 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan

2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan (PubChem CID 153288757) has the molecular formula C18H16OSi and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan.

Molecular Properties

Compound Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
PubChem CID153288757
Molecular FormulaC18H16OSi
Molecular Weight276.41 g/mol
Exact Mass276.10
IUPAC Name2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
SMILESC[Si]1(C)c2ccccc2-c2cc(-c3ccco3)ccc21
InChIInChI=1S/C18H16OSi/c1-20(2)17-8-4-3-6-14(17)15-12-13(9-10-18(15)20)16-7-5-11-19-16/h3-12H,1-2H3
InChIKeyBJHWKFPPTFTAJR-UHFFFAOYSA-N
XLogP3.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
The IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan (CID 153288757) is 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan.
What is the SMILES notation for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
The canonical SMILES for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan is C[Si]1(C)c2ccccc2-c2cc(-c3ccco3)ccc21.
What is the InChIKey of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
The InChIKey is BJHWKFPPTFTAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OSi/c1-20(2)17-8-4-3-6-14(17)15-12-13(9-10-18(15)20)16-7-5-11-19-16/h3-12H,1-2H3.
What are the key properties of 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan?
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan has a molecular weight of 276.41 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan is sourced from PubChem (CID 153288757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).