trimethyl(1-phenylbut-3-enoxy)silane

C13H20OSi — CID 553296

IUPACtrimethyl(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H20OSi/c1-5-9-13(14-15(2,3)4)12-10-7-6-8-11-12/h5-8,10-11,13H,1,9H2,2-4H3
InChIKeyBXBAGJFJJLLOFQ-UHFFFAOYSA-N
MW220.39 g/mol
LogP4.16
Rot. Bonds5

About trimethyl(1-phenylbut-3-enoxy)silane

trimethyl(1-phenylbut-3-enoxy)silane (PubChem CID 553296) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is trimethyl(1-phenylbut-3-enoxy)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylbut-3-enoxy)silane
PubChem CID553296
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Nametrimethyl(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C13H20OSi/c1-5-9-13(14-15(2,3)4)12-10-7-6-8-11-12/h5-8,10-11,13H,1,9H2,2-4H3
InChIKeyBXBAGJFJJLLOFQ-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl(1-phenylbut-3-enoxy)silane?
The IUPAC name of trimethyl(1-phenylbut-3-enoxy)silane (CID 553296) is trimethyl(1-phenylbut-3-enoxy)silane.
What is the SMILES notation for trimethyl(1-phenylbut-3-enoxy)silane?
The canonical SMILES for trimethyl(1-phenylbut-3-enoxy)silane is C=CCC(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl(1-phenylbut-3-enoxy)silane?
The InChIKey is BXBAGJFJJLLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-5-9-13(14-15(2,3)4)12-10-7-6-8-11-12/h5-8,10-11,13H,1,9H2,2-4H3.
What are the key properties of trimethyl(1-phenylbut-3-enoxy)silane?
trimethyl(1-phenylbut-3-enoxy)silane has a molecular weight of 220.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylbut-3-enoxy)silane is sourced from PubChem (CID 553296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).