tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane

C12H24OSi — CID 135044978

IUPACtert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane
SMILESC=C/C(=C/O[Si](C)(C)C(C)(C)C)CC
InChIInChI=1S/C12H24OSi/c1-8-11(9-2)10-13-14(6,7)12(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-
InChIKeyJECDXYFYTBFQET-KHPPLWFESA-N
MW212.41 g/mol
LogP4.49
Rot. Bonds4

About tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane

tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane (PubChem CID 135044978) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane
PubChem CID135044978
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane
SMILESC=C/C(=C/O[Si](C)(C)C(C)(C)C)CC
InChIInChI=1S/C12H24OSi/c1-8-11(9-2)10-13-14(6,7)12(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-
InChIKeyJECDXYFYTBFQET-KHPPLWFESA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane (CID 135044978) is tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane is C=C/C(=C/O[Si](C)(C)C(C)(C)C)CC.
What is the InChIKey of tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane?
The InChIKey is JECDXYFYTBFQET-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24OSi/c1-8-11(9-2)10-13-14(6,7)12(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-.
What are the key properties of tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane?
tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E)-2-ethylbuta-1,3-dienoxy]-dimethylsilane is sourced from PubChem (CID 135044978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).