tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane

C17H28O3Si — CID 11449702

IUPACtert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
SMILESC=CCc1c(OC)cc(OC)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-9-10-14-15(19-6)11-13(18-5)12-16(14)20-21(7,8)17(2,3)4/h9,11-12H,1,10H2,2-8H3
InChIKeyQKZVJYLOIMVSFU-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.82
Rot. Bonds6

About tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane

tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane (PubChem CID 11449702) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
PubChem CID11449702
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nametert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
SMILESC=CCc1c(OC)cc(OC)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-9-10-14-15(19-6)11-13(18-5)12-16(14)20-21(7,8)17(2,3)4/h9,11-12H,1,10H2,2-8H3
InChIKeyQKZVJYLOIMVSFU-UHFFFAOYSA-N
XLogP4.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.82
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 tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane (CID 11449702) is tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane is C=CCc1c(OC)cc(OC)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane?
The InChIKey is QKZVJYLOIMVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-9-10-14-15(19-6)11-13(18-5)12-16(14)20-21(7,8)17(2,3)4/h9,11-12H,1,10H2,2-8H3.
What are the key properties of tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane?
tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane has a molecular weight of 308.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane is sourced from PubChem (CID 11449702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).