bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane

C13H19BrOSi — CID 13272629

IUPACbromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane
SMILESCC(/C=C/c1ccccc1)O[Si](C)(C)CBr
InChIInChI=1S/C13H19BrOSi/c1-12(15-16(2,3)11-14)9-10-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9+
InChIKeyDNAKIXFJFDJBMU-MDZDMXLPSA-N
MW299.28 g/mol
LogP4.24
Rot. Bonds5

About bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane

bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane (PubChem CID 13272629) has the molecular formula C13H19BrOSi and a molecular weight of 299.28 g/mol. Its IUPAC name is bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Namebromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane
PubChem CID13272629
Molecular FormulaC13H19BrOSi
Molecular Weight299.28 g/mol
Exact Mass298.04
IUPAC Namebromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane
SMILESCC(/C=C/c1ccccc1)O[Si](C)(C)CBr
InChIInChI=1S/C13H19BrOSi/c1-12(15-16(2,3)11-14)9-10-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9+
InChIKeyDNAKIXFJFDJBMU-MDZDMXLPSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane?
The IUPAC name of bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane (CID 13272629) is bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane?
The canonical SMILES for bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane is CC(/C=C/c1ccccc1)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane?
The InChIKey is DNAKIXFJFDJBMU-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H19BrOSi/c1-12(15-16(2,3)11-14)9-10-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9+.
What are the key properties of bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane?
bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane has a molecular weight of 299.28 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-[(E)-4-phenylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 13272629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).