(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane

C11H15BrSi — CID 154480623

IUPAC(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane
SMILESC[Si](C)(C)c1c(Br)ccc2c1CC2
InChIInChI=1S/C11H15BrSi/c1-13(2,3)11-9-6-4-8(9)5-7-10(11)12/h5,7H,4,6H2,1-3H3
InChIKeyMDAVLPXETAAGOI-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.09
Rot. Bonds1

About (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane

(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane (PubChem CID 154480623) has the molecular formula C11H15BrSi and a molecular weight of 255.23 g/mol. Its IUPAC name is (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane.

Molecular Properties

Compound Name(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane
PubChem CID154480623
Molecular FormulaC11H15BrSi
Molecular Weight255.23 g/mol
Exact Mass254.01
IUPAC Name(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane
SMILESC[Si](C)(C)c1c(Br)ccc2c1CC2
InChIInChI=1S/C11H15BrSi/c1-13(2,3)11-9-6-4-8(9)5-7-10(11)12/h5,7H,4,6H2,1-3H3
InChIKeyMDAVLPXETAAGOI-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.09
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 (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane?
The IUPAC name of (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane (CID 154480623) is (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane.
What is the SMILES notation for (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane?
The canonical SMILES for (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane is C[Si](C)(C)c1c(Br)ccc2c1CC2.
What is the InChIKey of (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane?
The InChIKey is MDAVLPXETAAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrSi/c1-13(2,3)11-9-6-4-8(9)5-7-10(11)12/h5,7H,4,6H2,1-3H3.
What are the key properties of (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane?
(3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane has a molecular weight of 255.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-trimethylsilane is sourced from PubChem (CID 154480623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).