4-triethylsilylbut-3-enyl acetate

C12H24O2Si — CID 73447112

IUPAC4-triethylsilylbut-3-enyl acetate
SMILESCC[Si](C=CCCOC(C)=O)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-5-15(6-2,7-3)11-9-8-10-14-12(4)13/h9,11H,5-8,10H2,1-4H3
InChIKeyAMSSREOVQQKJFR-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds7

About 4-triethylsilylbut-3-enyl acetate

4-triethylsilylbut-3-enyl acetate (PubChem CID 73447112) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 4-triethylsilylbut-3-enyl acetate.

Molecular Properties

Compound Name4-triethylsilylbut-3-enyl acetate
PubChem CID73447112
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name4-triethylsilylbut-3-enyl acetate
SMILESCC[Si](C=CCCOC(C)=O)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-5-15(6-2,7-3)11-9-8-10-14-12(4)13/h9,11H,5-8,10H2,1-4H3
InChIKeyAMSSREOVQQKJFR-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-triethylsilylbut-3-enyl acetate?
The IUPAC name of 4-triethylsilylbut-3-enyl acetate (CID 73447112) is 4-triethylsilylbut-3-enyl acetate.
What is the SMILES notation for 4-triethylsilylbut-3-enyl acetate?
The canonical SMILES for 4-triethylsilylbut-3-enyl acetate is CC[Si](C=CCCOC(C)=O)(CC)CC.
What is the InChIKey of 4-triethylsilylbut-3-enyl acetate?
The InChIKey is AMSSREOVQQKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-15(6-2,7-3)11-9-8-10-14-12(4)13/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 4-triethylsilylbut-3-enyl acetate?
4-triethylsilylbut-3-enyl acetate has a molecular weight of 228.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilylbut-3-enyl acetate is sourced from PubChem (CID 73447112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).