ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate

C12H20O4Si — CID 15419817

IUPACethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate
SMILESCCOC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C12H20O4Si/c1-5-14-11(13)9-8-12(16-17(2,3)4)10(9)6-7-15-12/h8,10H,5-7H2,1-4H3/t10-,12-/m0/s1
InChIKeyXRMPWYJKVOQREO-JQWIXIFHSA-N
MW256.37 g/mol
LogP2.07
Rot. Bonds4

About ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate

ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate (PubChem CID 15419817) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate
PubChem CID15419817
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Nameethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate
SMILESCCOC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C12H20O4Si/c1-5-14-11(13)9-8-12(16-17(2,3)4)10(9)6-7-15-12/h8,10H,5-7H2,1-4H3/t10-,12-/m0/s1
InChIKeyXRMPWYJKVOQREO-JQWIXIFHSA-N
XLogP2.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
The IUPAC name of ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate (CID 15419817) is ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate.
What is the SMILES notation for ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
The canonical SMILES for ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate is CCOC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12.
What is the InChIKey of ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
The InChIKey is XRMPWYJKVOQREO-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-5-14-11(13)9-8-12(16-17(2,3)4)10(9)6-7-15-12/h8,10H,5-7H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate has a molecular weight of 256.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate is sourced from PubChem (CID 15419817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).