trimethoxy-(4-prop-2-enylphenyl)silane

C12H18O3Si — CID 66685892

IUPACtrimethoxy-(4-prop-2-enylphenyl)silane
SMILESC=CCc1ccc([Si](OC)(OC)OC)cc1
InChIInChI=1S/C12H18O3Si/c1-5-6-11-7-9-12(10-8-11)16(13-2,14-3)15-4/h5,7-10H,1,6H2,2-4H3
InChIKeyXUNDPWGLKUDGAL-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.50
Rot. Bonds6

About trimethoxy-(4-prop-2-enylphenyl)silane

trimethoxy-(4-prop-2-enylphenyl)silane (PubChem CID 66685892) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is trimethoxy-(4-prop-2-enylphenyl)silane.

Molecular Properties

Compound Nametrimethoxy-(4-prop-2-enylphenyl)silane
PubChem CID66685892
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Nametrimethoxy-(4-prop-2-enylphenyl)silane
SMILESC=CCc1ccc([Si](OC)(OC)OC)cc1
InChIInChI=1S/C12H18O3Si/c1-5-6-11-7-9-12(10-8-11)16(13-2,14-3)15-4/h5,7-10H,1,6H2,2-4H3
InChIKeyXUNDPWGLKUDGAL-UHFFFAOYSA-N
XLogP1.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-(4-prop-2-enylphenyl)silane?
The IUPAC name of trimethoxy-(4-prop-2-enylphenyl)silane (CID 66685892) is trimethoxy-(4-prop-2-enylphenyl)silane.
What is the SMILES notation for trimethoxy-(4-prop-2-enylphenyl)silane?
The canonical SMILES for trimethoxy-(4-prop-2-enylphenyl)silane is C=CCc1ccc([Si](OC)(OC)OC)cc1.
What is the InChIKey of trimethoxy-(4-prop-2-enylphenyl)silane?
The InChIKey is XUNDPWGLKUDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-5-6-11-7-9-12(10-8-11)16(13-2,14-3)15-4/h5,7-10H,1,6H2,2-4H3.
What are the key properties of trimethoxy-(4-prop-2-enylphenyl)silane?
trimethoxy-(4-prop-2-enylphenyl)silane has a molecular weight of 238.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(4-prop-2-enylphenyl)silane is sourced from PubChem (CID 66685892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).