tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane

C21H28OSi — CID 605219

IUPACtert-butyl-(3-methylbut-3-enoxy)-diphenylsilane
SMILESC=C(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28OSi/c1-18(2)16-17-22-23(21(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15H,1,16-17H2,2-5H3
InChIKeyOUYMYBDPFJFITR-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.53
Rot. Bonds6

About tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane

tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane (PubChem CID 605219) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-methylbut-3-enoxy)-diphenylsilane
PubChem CID605219
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Nametert-butyl-(3-methylbut-3-enoxy)-diphenylsilane
SMILESC=C(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28OSi/c1-18(2)16-17-22-23(21(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15H,1,16-17H2,2-5H3
InChIKeyOUYMYBDPFJFITR-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.53
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 tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane (CID 605219) is tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane is C=C(C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane?
The InChIKey is OUYMYBDPFJFITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSi/c1-18(2)16-17-22-23(21(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15H,1,16-17H2,2-5H3.
What are the key properties of tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane?
tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane has a molecular weight of 324.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-methylbut-3-enoxy)-diphenylsilane is sourced from PubChem (CID 605219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).