trimethoxy-(3-prop-1-en-2-ylphenyl)silane

C12H18O3Si — CID 21219270

IUPACtrimethoxy-(3-prop-1-en-2-ylphenyl)silane
SMILESC=C(C)c1cccc([Si](OC)(OC)OC)c1
InChIInChI=1S/C12H18O3Si/c1-10(2)11-7-6-8-12(9-11)16(13-3,14-4)15-5/h6-9H,1H2,2-5H3
InChIKeyNDOXWVPHPJYNJN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.80
Rot. Bonds5

About trimethoxy-(3-prop-1-en-2-ylphenyl)silane

trimethoxy-(3-prop-1-en-2-ylphenyl)silane (PubChem CID 21219270) has the molecular formula C12H18O3Si and a molecular weight of 238.36 g/mol. Its IUPAC name is trimethoxy-(3-prop-1-en-2-ylphenyl)silane.

Molecular Properties

Compound Nametrimethoxy-(3-prop-1-en-2-ylphenyl)silane
PubChem CID21219270
Molecular FormulaC12H18O3Si
Molecular Weight238.36 g/mol
Exact Mass238.10
IUPAC Nametrimethoxy-(3-prop-1-en-2-ylphenyl)silane
SMILESC=C(C)c1cccc([Si](OC)(OC)OC)c1
InChIInChI=1S/C12H18O3Si/c1-10(2)11-7-6-8-12(9-11)16(13-3,14-4)15-5/h6-9H,1H2,2-5H3
InChIKeyNDOXWVPHPJYNJN-UHFFFAOYSA-N
XLogP1.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy-(3-prop-1-en-2-ylphenyl)silane?
The IUPAC name of trimethoxy-(3-prop-1-en-2-ylphenyl)silane (CID 21219270) is trimethoxy-(3-prop-1-en-2-ylphenyl)silane.
What is the SMILES notation for trimethoxy-(3-prop-1-en-2-ylphenyl)silane?
The canonical SMILES for trimethoxy-(3-prop-1-en-2-ylphenyl)silane is C=C(C)c1cccc([Si](OC)(OC)OC)c1.
What is the InChIKey of trimethoxy-(3-prop-1-en-2-ylphenyl)silane?
The InChIKey is NDOXWVPHPJYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3Si/c1-10(2)11-7-6-8-12(9-11)16(13-3,14-4)15-5/h6-9H,1H2,2-5H3.
What are the key properties of trimethoxy-(3-prop-1-en-2-ylphenyl)silane?
trimethoxy-(3-prop-1-en-2-ylphenyl)silane has a molecular weight of 238.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(3-prop-1-en-2-ylphenyl)silane is sourced from PubChem (CID 21219270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).