[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium

C13H25O2Si+ — CID 134858114

IUPAC[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium
SMILESC=C/C=C/C(O[Si](C)(C)C(C)(C)C)=[O+]\CC
InChIInChI=1S/C13H25O2Si/c1-8-10-11-12(14-9-2)15-16(6,7)13(3,4)5/h8,10-11H,1,9H2,2-7H3/q+1/b11-10+
InChIKeyWBBQEUYBKHEHSY-ZHACJKMWSA-N
MW241.43 g/mol
LogP3.83
Rot. Bonds4

About [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium

[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium (PubChem CID 134858114) has the molecular formula C13H25O2Si+ and a molecular weight of 241.43 g/mol. Its IUPAC name is [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium.

Molecular Properties

Compound Name[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium
PubChem CID134858114
Molecular FormulaC13H25O2Si+
Molecular Weight241.43 g/mol
Exact Mass241.16
IUPAC Name[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium
SMILESC=C/C=C/C(O[Si](C)(C)C(C)(C)C)=[O+]\CC
InChIInChI=1S/C13H25O2Si/c1-8-10-11-12(14-9-2)15-16(6,7)13(3,4)5/h8,10-11H,1,9H2,2-7H3/q+1/b11-10+
InChIKeyWBBQEUYBKHEHSY-ZHACJKMWSA-N
XLogP3.83
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium?
The IUPAC name of [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium (CID 134858114) is [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium.
What is the SMILES notation for [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium?
The canonical SMILES for [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium is C=C/C=C/C(O[Si](C)(C)C(C)(C)C)=[O+]\CC.
What is the InChIKey of [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium?
The InChIKey is WBBQEUYBKHEHSY-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25O2Si/c1-8-10-11-12(14-9-2)15-16(6,7)13(3,4)5/h8,10-11H,1,9H2,2-7H3/q+1/b11-10+.
What are the key properties of [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium?
[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium has a molecular weight of 241.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienylidene]-ethyloxidanium is sourced from PubChem (CID 134858114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).