[(E)-4-triethylsilylbut-3-enyl] acetate

C12H24O2Si — CID 18469590

IUPAC[(E)-4-triethylsilylbut-3-enyl] acetate
SMILESCC[Si](/C=C/CCOC(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/b11-9+
InChIKeyAMSSREOVQQKJFR-PKNBQFBNSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds7

About [(E)-4-triethylsilylbut-3-enyl] acetate

[(E)-4-triethylsilylbut-3-enyl] acetate (PubChem CID 18469590) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(E)-4-triethylsilylbut-3-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-triethylsilylbut-3-enyl] acetate
PubChem CID18469590
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name[(E)-4-triethylsilylbut-3-enyl] acetate
SMILESCC[Si](/C=C/CCOC(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/b11-9+
InChIKeyAMSSREOVQQKJFR-PKNBQFBNSA-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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Related Compounds

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
alpha-(Trimethylsilyl)allyl acetate
CID 11845536
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
Prop-2-enyl 2-trimethylsilylacetate
CID 19990685
[(E)-3-trimethylsilylprop-2-enyl] acetate
CID 10855968
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate
CID 11424365
[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
CID 12754625
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797

Frequently Asked Questions

What is the IUPAC name of [(E)-4-triethylsilylbut-3-enyl] acetate?
The IUPAC name of [(E)-4-triethylsilylbut-3-enyl] acetate (CID 18469590) is [(E)-4-triethylsilylbut-3-enyl] acetate.
What is the SMILES notation for [(E)-4-triethylsilylbut-3-enyl] acetate?
The canonical SMILES for [(E)-4-triethylsilylbut-3-enyl] acetate is CC[Si](/C=C/CCOC(C)=O)(CC)CC.
What is the InChIKey of [(E)-4-triethylsilylbut-3-enyl] acetate?
The InChIKey is AMSSREOVQQKJFR-PKNBQFBNSA-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/b11-9+.
What are the key properties of [(E)-4-triethylsilylbut-3-enyl] acetate?
[(E)-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 [(E)-4-triethylsilylbut-3-enyl] acetate is sourced from PubChem (CID 18469590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).