tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane

C13H28OSi — CID 86629064

IUPACtert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane
SMILESC=CCC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-9-10-13(5,6)11-14-15(7,8)12(2,3)4/h9H,1,10-11H2,2-8H3
InChIKeyWDZFSHCCXLXYLT-UHFFFAOYSA-N
MW228.45 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane

tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane (PubChem CID 86629064) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane
PubChem CID86629064
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Nametert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane
SMILESC=CCC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-9-10-13(5,6)11-14-15(7,8)12(2,3)4/h9H,1,10-11H2,2-8H3
InChIKeyWDZFSHCCXLXYLT-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.61
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-(2,2-dimethylpent-4-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane (CID 86629064) is tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane is C=CCC(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane?
The InChIKey is WDZFSHCCXLXYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi/c1-9-10-13(5,6)11-14-15(7,8)12(2,3)4/h9H,1,10-11H2,2-8H3.
What are the key properties of tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane?
tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane has a molecular weight of 228.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,2-dimethylpent-4-enoxy)-dimethylsilane is sourced from PubChem (CID 86629064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).