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

C16H18O2Si — CID 623030

IUPAC5,5-diethoxybenzo[b][1]benzosilole
SMILESCCO[Si]1(OCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H18O2Si/c1-3-17-19(18-4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)19/h5-12H,3-4H2,1-2H3
InChIKeyBLBMAELXOSSELC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.30
Rot. Bonds4

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

5,5-diethoxybenzo[b][1]benzosilole (PubChem CID 623030) has the molecular formula C16H18O2Si and a molecular weight of 270.40 g/mol. Its IUPAC name is 5,5-diethoxybenzo[b][1]benzosilole.

Molecular Properties

Compound Name5,5-diethoxybenzo[b][1]benzosilole
PubChem CID623030
Molecular FormulaC16H18O2Si
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name5,5-diethoxybenzo[b][1]benzosilole
SMILESCCO[Si]1(OCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H18O2Si/c1-3-17-19(18-4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)19/h5-12H,3-4H2,1-2H3
InChIKeyBLBMAELXOSSELC-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-[2-(5-methylbenzo[b][1]benzosilol-5-yl)ethyl]benzo[b][1]benzosilole
CID 102021725
(213C)ethoxymethylbenzene
CID 87947851
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
CID 70019746
CID 70019746
5-ethenyl-5-methylbenzo[b][1]benzosilole
CID 91827973
spiro[benzo[b][1]benzosilole-5,1'-silole]
CID 59642906
bis(2-benzofuran-1,3-dione);ethoxyethane
CID 87972928
benzylbenzene;ethoxyethane
CID 69148831
ethylbenzene;methoxyethane
CID 90842646
[amino(diethoxy)silyl]methylbenzene
CID 54560418
benzyl triethyl silicate
CID 14245028
2-ethoxy-2-phenylmethoxyethanol
CID 57263714

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxybenzo[b][1]benzosilole?
The IUPAC name of 5,5-diethoxybenzo[b][1]benzosilole (CID 623030) is 5,5-diethoxybenzo[b][1]benzosilole.
What is the SMILES notation for 5,5-diethoxybenzo[b][1]benzosilole?
The canonical SMILES for 5,5-diethoxybenzo[b][1]benzosilole is CCO[Si]1(OCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 5,5-diethoxybenzo[b][1]benzosilole?
The InChIKey is BLBMAELXOSSELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Si/c1-3-17-19(18-4-2)15-11-7-5-9-13(15)14-10-6-8-12-16(14)19/h5-12H,3-4H2,1-2H3.
What are the key properties of 5,5-diethoxybenzo[b][1]benzosilole?
5,5-diethoxybenzo[b][1]benzosilole has a molecular weight of 270.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxybenzo[b][1]benzosilole is sourced from PubChem (CID 623030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).