tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane

C12H24O2Si — CID 101028091

IUPACtert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane
SMILESCO/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(5,6)14-11-9-7-8-10-13-4/h7-10H,11H2,1-6H3/b9-7+,10-8+
InChIKeyFBARNHJZZUEHTC-FIFLTTCUSA-N
MW228.41 g/mol
LogP3.72
Rot. Bonds5

About tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane

tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane (PubChem CID 101028091) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane
PubChem CID101028091
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane
SMILESCO/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(5,6)14-11-9-7-8-10-13-4/h7-10H,11H2,1-6H3/b9-7+,10-8+
InChIKeyFBARNHJZZUEHTC-FIFLTTCUSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane (CID 101028091) is tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane is CO/C=C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane?
The InChIKey is FBARNHJZZUEHTC-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(5,6)14-11-9-7-8-10-13-4/h7-10H,11H2,1-6H3/b9-7+,10-8+.
What are the key properties of tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane?
tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 101028091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).