[(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane

C12H24O2Si — CID 19080257

IUPAC[(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane
SMILESC=C(/C=C/OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-6-13-11-10-12(5)14-15(7-2,8-3)9-4/h10-11H,5-9H2,1-4H3/b11-10+
InChIKeyYNPVBAKYTYMBCB-ZHACJKMWSA-N
MW228.41 g/mol
LogP4.07
Rot. Bonds8

About [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane

[(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane (PubChem CID 19080257) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane
PubChem CID19080257
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name[(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane
SMILESC=C(/C=C/OCC)O[Si](CC)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-6-13-11-10-12(5)14-15(7-2,8-3)9-4/h10-11H,5-9H2,1-4H3/b11-10+
InChIKeyYNPVBAKYTYMBCB-ZHACJKMWSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane?
The IUPAC name of [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane (CID 19080257) is [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane?
The canonical SMILES for [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane is C=C(/C=C/OCC)O[Si](CC)(CC)CC.
What is the InChIKey of [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane?
The InChIKey is YNPVBAKYTYMBCB-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-13-11-10-12(5)14-15(7-2,8-3)9-4/h10-11H,5-9H2,1-4H3/b11-10+.
What are the key properties of [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane?
[(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane has a molecular weight of 228.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-ethoxybuta-1,3-dien-2-yl]oxy-triethylsilane is sourced from PubChem (CID 19080257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).