1,2,3,5,5-pentamethylbenzo[b][1]benzosilole

C17H20Si — CID 159129201

IUPAC1,2,3,5,5-pentamethylbenzo[b][1]benzosilole
SMILESCc1cc2c(c(C)c1C)-c1ccccc1[Si]2(C)C
InChIInChI=1S/C17H20Si/c1-11-10-16-17(13(3)12(11)2)14-8-6-7-9-15(14)18(16,4)5/h6-10H,1-5H3
InChIKeyYDWCEMABAMWEPF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.41
Rot. Bonds

About 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole

1,2,3,5,5-pentamethylbenzo[b][1]benzosilole (PubChem CID 159129201) has the molecular formula C17H20Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name1,2,3,5,5-pentamethylbenzo[b][1]benzosilole
PubChem CID159129201
Molecular FormulaC17H20Si
Molecular Weight252.43 g/mol
Exact Mass252.13
IUPAC Name1,2,3,5,5-pentamethylbenzo[b][1]benzosilole
SMILESCc1cc2c(c(C)c1C)-c1ccccc1[Si]2(C)C
InChIInChI=1S/C17H20Si/c1-11-10-16-17(13(3)12(11)2)14-8-6-7-9-15(14)18(16,4)5/h6-10H,1-5H3
InChIKeyYDWCEMABAMWEPF-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.41
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 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole?
The IUPAC name of 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole (CID 159129201) is 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole.
What is the SMILES notation for 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole?
The canonical SMILES for 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole is Cc1cc2c(c(C)c1C)-c1ccccc1[Si]2(C)C.
What is the InChIKey of 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole?
The InChIKey is YDWCEMABAMWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Si/c1-11-10-16-17(13(3)12(11)2)14-8-6-7-9-15(14)18(16,4)5/h6-10H,1-5H3.
What are the key properties of 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole?
1,2,3,5,5-pentamethylbenzo[b][1]benzosilole has a molecular weight of 252.43 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-pentamethylbenzo[b][1]benzosilole is sourced from PubChem (CID 159129201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).