ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane

C12H24O2Si — CID 11736328

IUPACethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
SMILESC=C(/C=C/OC(C)(C)C)O[Si](C)(C)CC
InChIInChI=1S/C12H24O2Si/c1-8-15(6,7)14-11(2)9-10-13-12(3,4)5/h9-10H,2,8H2,1,3-7H3/b10-9+
InChIKeyWZQFUXFTYBZPOX-MDZDMXLPSA-N
MW228.41 g/mol
LogP4.07
Rot. Bonds5

About ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane

ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane (PubChem CID 11736328) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane.

Molecular Properties

Compound Nameethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
PubChem CID11736328
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nameethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane
SMILESC=C(/C=C/OC(C)(C)C)O[Si](C)(C)CC
InChIInChI=1S/C12H24O2Si/c1-8-15(6,7)14-11(2)9-10-13-12(3,4)5/h9-10H,2,8H2,1,3-7H3/b10-9+
InChIKeyWZQFUXFTYBZPOX-MDZDMXLPSA-N
XLogP4.07
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 ≤ 54.07
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 ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
The IUPAC name of ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane (CID 11736328) is ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane.
What is the SMILES notation for ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
The canonical SMILES for ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane is C=C(/C=C/OC(C)(C)C)O[Si](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
The InChIKey is WZQFUXFTYBZPOX-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-15(6,7)14-11(2)9-10-13-12(3,4)5/h9-10H,2,8H2,1,3-7H3/b10-9+.
What are the key properties of ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane?
ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane has a molecular weight of 228.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(3E)-4-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-2-yl]oxysilane is sourced from PubChem (CID 11736328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).