tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane

C17H28O2Si — CID 57096912

IUPACtert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
SMILESC=C(C)COc1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H28O2Si/c1-14(2)12-18-16-10-8-9-15(11-16)13-19-20(6,7)17(3,4)5/h8-11H,1,12-13H2,2-7H3
InChIKeyGZLVQRXGOMPMTE-UHFFFAOYSA-N
MW292.50 g/mol
LogP5.16
Rot. Bonds6

About tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane (PubChem CID 57096912) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
PubChem CID57096912
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Nametert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
SMILESC=C(C)COc1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H28O2Si/c1-14(2)12-18-16-10-8-9-15(11-16)13-19-20(6,7)17(3,4)5/h8-11H,1,12-13H2,2-7H3
InChIKeyGZLVQRXGOMPMTE-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane (CID 57096912) is tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane is C=C(C)COc1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane?
The InChIKey is GZLVQRXGOMPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-14(2)12-18-16-10-8-9-15(11-16)13-19-20(6,7)17(3,4)5/h8-11H,1,12-13H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane has a molecular weight of 292.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane is sourced from PubChem (CID 57096912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).