tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane

C12H26O2Si — CID 12000452

IUPACtert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane
SMILESCC/C=C(\OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10-11(13-9-2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/b11-10+
InChIKeyKTCLFIMUGDXROX-ZHACJKMWSA-N
MW230.42 g/mol
LogP4.30
Rot. Bonds5

About tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane

tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane (PubChem CID 12000452) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane
PubChem CID12000452
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane
SMILESCC/C=C(\OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10-11(13-9-2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/b11-10+
InChIKeyKTCLFIMUGDXROX-ZHACJKMWSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.30
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane (CID 12000452) is tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane is CC/C=C(\OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane?
The InChIKey is KTCLFIMUGDXROX-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-10-11(13-9-2)14-15(6,7)12(3,4)5/h10H,8-9H2,1-7H3/b11-10+.
What are the key properties of tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane?
tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane has a molecular weight of 230.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-1-ethoxybut-1-enoxy]-dimethylsilane is sourced from PubChem (CID 12000452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).