5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole

C20H24I2Si — CID 58992237

IUPAC5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole
SMILESCCCC[Si]1(CCCC)c2cc(I)ccc2-c2ccc(I)cc21
InChIInChI=1S/C20H24I2Si/c1-3-5-11-23(12-6-4-2)19-13-15(21)7-9-17(19)18-10-8-16(22)14-20(18)23/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyDCQGNAWFVXBKDP-UHFFFAOYSA-N
MW546.31 g/mol
LogP6.04
Rot. Bonds6

About 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole

5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole (PubChem CID 58992237) has the molecular formula C20H24I2Si and a molecular weight of 546.31 g/mol. Its IUPAC name is 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole
PubChem CID58992237
Molecular FormulaC20H24I2Si
Molecular Weight546.31 g/mol
Exact Mass545.97
IUPAC Name5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole
SMILESCCCC[Si]1(CCCC)c2cc(I)ccc2-c2ccc(I)cc21
InChIInChI=1S/C20H24I2Si/c1-3-5-11-23(12-6-4-2)19-13-15(21)7-9-17(19)18-10-8-16(22)14-20(18)23/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyDCQGNAWFVXBKDP-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.31
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole?
The IUPAC name of 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole (CID 58992237) is 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole.
What is the SMILES notation for 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole?
The canonical SMILES for 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole is CCCC[Si]1(CCCC)c2cc(I)ccc2-c2ccc(I)cc21.
What is the InChIKey of 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole?
The InChIKey is DCQGNAWFVXBKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24I2Si/c1-3-5-11-23(12-6-4-2)19-13-15(21)7-9-17(19)18-10-8-16(22)14-20(18)23/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole?
5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole has a molecular weight of 546.31 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-3,7-diiodobenzo[b][1]benzosilole is sourced from PubChem (CID 58992237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).