2-(bromomethyl)prop-2-enyl-tripropoxysilane

C13H27BrO3Si — CID 139922141

IUPAC2-(bromomethyl)prop-2-enyl-tripropoxysilane
SMILESC=C(CBr)C[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C13H27BrO3Si/c1-5-8-15-18(16-9-6-2,17-10-7-3)12-13(4)11-14/h4-12H2,1-3H3
InChIKeyXYDOGUVISHTTJV-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.16
Rot. Bonds12

About 2-(bromomethyl)prop-2-enyl-tripropoxysilane

2-(bromomethyl)prop-2-enyl-tripropoxysilane (PubChem CID 139922141) has the molecular formula C13H27BrO3Si and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(bromomethyl)prop-2-enyl-tripropoxysilane.

Molecular Properties

Compound Name2-(bromomethyl)prop-2-enyl-tripropoxysilane
PubChem CID139922141
Molecular FormulaC13H27BrO3Si
Molecular Weight339.35 g/mol
Exact Mass338.09
IUPAC Name2-(bromomethyl)prop-2-enyl-tripropoxysilane
SMILESC=C(CBr)C[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C13H27BrO3Si/c1-5-8-15-18(16-9-6-2,17-10-7-3)12-13(4)11-14/h4-12H2,1-3H3
InChIKeyXYDOGUVISHTTJV-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-1-en-2-yl(tripropoxy)silane
CID 139611029
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
3-bromo-2-(bromomethyl)prop-1-ene
CID 10965866
3-tripropoxysilylpropan-1-ol
CID 19080799
diethoxy-ethyl-propoxysilane
CID 22211908
ethoxy-ethyl-dipropoxysilane
CID 525754
4-tripropoxysilylbutan-1-ol
CID 18780457
tris(2-methoxyethoxy)-(2-methylprop-2-enyl)silane
CID 22244858
ethyl(tripropoxy)silane;tributoxy(ethyl)silane
CID 160706387
1-(1-bromoethenoxy)propane
CID 59930688
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)prop-2-enyl-tripropoxysilane?
The IUPAC name of 2-(bromomethyl)prop-2-enyl-tripropoxysilane (CID 139922141) is 2-(bromomethyl)prop-2-enyl-tripropoxysilane.
What is the SMILES notation for 2-(bromomethyl)prop-2-enyl-tripropoxysilane?
The canonical SMILES for 2-(bromomethyl)prop-2-enyl-tripropoxysilane is C=C(CBr)C[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of 2-(bromomethyl)prop-2-enyl-tripropoxysilane?
The InChIKey is XYDOGUVISHTTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrO3Si/c1-5-8-15-18(16-9-6-2,17-10-7-3)12-13(4)11-14/h4-12H2,1-3H3.
What are the key properties of 2-(bromomethyl)prop-2-enyl-tripropoxysilane?
2-(bromomethyl)prop-2-enyl-tripropoxysilane has a molecular weight of 339.35 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)prop-2-enyl-tripropoxysilane is sourced from PubChem (CID 139922141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).