tert-butyl-(1-methoxyethenoxy)-dimethylsilane

C9H19O2Si+ — CID 135038418

IUPACtert-butyl-(1-methoxyethenoxy)-dimethylsilane
SMILES[H]/[C+]=C(\OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H19O2Si/c1-8(10-5)11-12(6,7)9(2,3)4/h1H,2-7H3/q+1
InChIKeyQLCFPHPKWYRVHI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl-(1-methoxyethenoxy)-dimethylsilane

tert-butyl-(1-methoxyethenoxy)-dimethylsilane (PubChem CID 135038418) has the molecular formula C9H19O2Si+ and a molecular weight of 187.33 g/mol. Its IUPAC name is tert-butyl-(1-methoxyethenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-methoxyethenoxy)-dimethylsilane
PubChem CID135038418
Molecular FormulaC9H19O2Si+
Molecular Weight187.33 g/mol
Exact Mass187.11
IUPAC Nametert-butyl-(1-methoxyethenoxy)-dimethylsilane
SMILES[H]/[C+]=C(\OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H19O2Si/c1-8(10-5)11-12(6,7)9(2,3)4/h1H,2-7H3/q+1
InChIKeyQLCFPHPKWYRVHI-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-methoxyethenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-methoxyethenoxy)-dimethylsilane (CID 135038418) is tert-butyl-(1-methoxyethenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-methoxyethenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-methoxyethenoxy)-dimethylsilane is [H]/[C+]=C(\OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-methoxyethenoxy)-dimethylsilane?
The InChIKey is QLCFPHPKWYRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2Si/c1-8(10-5)11-12(6,7)9(2,3)4/h1H,2-7H3/q+1.
What are the key properties of tert-butyl-(1-methoxyethenoxy)-dimethylsilane?
tert-butyl-(1-methoxyethenoxy)-dimethylsilane has a molecular weight of 187.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-methoxyethenoxy)-dimethylsilane is sourced from PubChem (CID 135038418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).