2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane

C17H28O3Si — CID 66629591

IUPAC2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane
SMILESC=C(C)COC[Si](OCCC)(OCCC)c1ccccc1
InChIInChI=1S/C17H28O3Si/c1-5-12-19-21(20-13-6-2,15-18-14-16(3)4)17-10-8-7-9-11-17/h7-11H,3,5-6,12-15H2,1-2,4H3
InChIKeyXHOAGYNQZLSXOI-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.32
Rot. Bonds11

About 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane

2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane (PubChem CID 66629591) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane.

Molecular Properties

Compound Name2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane
PubChem CID66629591
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane
SMILESC=C(C)COC[Si](OCCC)(OCCC)c1ccccc1
InChIInChI=1S/C17H28O3Si/c1-5-12-19-21(20-13-6-2,15-18-14-16(3)4)17-10-8-7-9-11-17/h7-11H,3,5-6,12-15H2,1-2,4H3
InChIKeyXHOAGYNQZLSXOI-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.32
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 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane?
The IUPAC name of 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane (CID 66629591) is 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane.
What is the SMILES notation for 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane?
The canonical SMILES for 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane is C=C(C)COC[Si](OCCC)(OCCC)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane?
The InChIKey is XHOAGYNQZLSXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-5-12-19-21(20-13-6-2,15-18-14-16(3)4)17-10-8-7-9-11-17/h7-11H,3,5-6,12-15H2,1-2,4H3.
What are the key properties of 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane?
2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane has a molecular weight of 308.49 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxymethyl-phenyl-dipropoxysilane is sourced from PubChem (CID 66629591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).