4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane

C12H24O2Si — CID 54517809

IUPAC4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane
SMILESC=C(C=COCC)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
InChIKeyYNPVBAKYTYMBCB-UHFFFAOYSA-N
MW228.41 g/mol
LogP4.07
Rot. Bonds8

About 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane

4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane (PubChem CID 54517809) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane.

Molecular Properties

Compound Name4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane
PubChem CID54517809
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane
SMILESC=C(C=COCC)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
InChIKeyYNPVBAKYTYMBCB-UHFFFAOYSA-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 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane?
The IUPAC name of 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane (CID 54517809) is 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane.
What is the SMILES notation for 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane?
The canonical SMILES for 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane is C=C(C=COCC)O[Si](CC)(CC)CC.
What is the InChIKey of 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane?
The InChIKey is YNPVBAKYTYMBCB-UHFFFAOYSA-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.
What are the key properties of 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane?
4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane 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 4-ethoxybuta-1,3-dien-2-yloxy(triethyl)silane is sourced from PubChem (CID 54517809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).