1-trimethylsilylbut-3-en-2-yl acetate

C9H18O2Si — CID 552360

IUPAC1-trimethylsilylbut-3-en-2-yl acetate
SMILESC=CC(C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C9H18O2Si/c1-6-9(11-8(2)10)7-12(3,4)5/h6,9H,1,7H2,2-5H3
InChIKeyFTZACGIEIMCZII-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.44
Rot. Bonds4

About 1-trimethylsilylbut-3-en-2-yl acetate

1-trimethylsilylbut-3-en-2-yl acetate (PubChem CID 552360) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-trimethylsilylbut-3-en-2-yl acetate.

Molecular Properties

Compound Name1-trimethylsilylbut-3-en-2-yl acetate
PubChem CID552360
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-trimethylsilylbut-3-en-2-yl acetate
SMILESC=CC(C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C9H18O2Si/c1-6-9(11-8(2)10)7-12(3,4)5/h6,9H,1,7H2,2-5H3
InChIKeyFTZACGIEIMCZII-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylbut-3-en-2-yl acetate?
The IUPAC name of 1-trimethylsilylbut-3-en-2-yl acetate (CID 552360) is 1-trimethylsilylbut-3-en-2-yl acetate.
What is the SMILES notation for 1-trimethylsilylbut-3-en-2-yl acetate?
The canonical SMILES for 1-trimethylsilylbut-3-en-2-yl acetate is C=CC(C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of 1-trimethylsilylbut-3-en-2-yl acetate?
The InChIKey is FTZACGIEIMCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-6-9(11-8(2)10)7-12(3,4)5/h6,9H,1,7H2,2-5H3.
What are the key properties of 1-trimethylsilylbut-3-en-2-yl acetate?
1-trimethylsilylbut-3-en-2-yl acetate has a molecular weight of 186.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylbut-3-en-2-yl acetate is sourced from PubChem (CID 552360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).