tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane

C13H26O2Si — CID 101413391

IUPACtert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane
SMILESC=COC/C=C(/C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-14-10-9-12(2)11-15-16(6,7)13(3,4)5/h8-9H,1,10-11H2,2-7H3/b12-9-
InChIKeyXPWJGZKBEHAVNV-XFXZXTDPSA-N
MW242.43 g/mol
LogP4.11
Rot. Bonds6

About tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane

tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane (PubChem CID 101413391) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane
PubChem CID101413391
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane
SMILESC=COC/C=C(/C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-14-10-9-12(2)11-15-16(6,7)13(3,4)5/h8-9H,1,10-11H2,2-7H3/b12-9-
InChIKeyXPWJGZKBEHAVNV-XFXZXTDPSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane (CID 101413391) is tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane is C=COC/C=C(/C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane?
The InChIKey is XPWJGZKBEHAVNV-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-14-10-9-12(2)11-15-16(6,7)13(3,4)5/h8-9H,1,10-11H2,2-7H3/b12-9-.
What are the key properties of tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane?
tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4-ethenoxy-2-methylbut-2-enoxy]-dimethylsilane is sourced from PubChem (CID 101413391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).