1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone

C11H18O3Si — CID 15419818

IUPAC1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone
SMILESCC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C11H18O3Si/c1-8(12)9-7-11(14-15(2,3)4)10(9)5-6-13-11/h7,10H,5-6H2,1-4H3/t10-,11-/m0/s1
InChIKeyUVBDJJDQCDMTFA-QWRGUYRKSA-N
MW226.35 g/mol
LogP2.10
Rot. Bonds3

About 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone

1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone (PubChem CID 15419818) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone
PubChem CID15419818
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Name1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone
SMILESCC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C11H18O3Si/c1-8(12)9-7-11(14-15(2,3)4)10(9)5-6-13-11/h7,10H,5-6H2,1-4H3/t10-,11-/m0/s1
InChIKeyUVBDJJDQCDMTFA-QWRGUYRKSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone?
The IUPAC name of 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone (CID 15419818) is 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone.
What is the SMILES notation for 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone?
The canonical SMILES for 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone is CC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12.
What is the InChIKey of 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone?
The InChIKey is UVBDJJDQCDMTFA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-8(12)9-7-11(14-15(2,3)4)10(9)5-6-13-11/h7,10H,5-6H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone?
1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone has a molecular weight of 226.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-en-6-yl]ethanone is sourced from PubChem (CID 15419818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).