ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate

C12H20O4Si — CID 10729794

IUPACethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
SMILESCCOC(=O)C1=C[C@@H]2CCO[C@]12O[Si](C)(C)C
InChIInChI=1S/C12H20O4Si/c1-5-14-11(13)10-8-9-6-7-15-12(9,10)16-17(2,3)4/h8-9H,5-7H2,1-4H3/t9-,12+/m0/s1
InChIKeyTUCDCVLXBYTPHH-JOYOIKCWSA-N
MW256.37 g/mol
LogP2.07
Rot. Bonds4

About ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate

ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate (PubChem CID 10729794) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
PubChem CID10729794
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Nameethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
SMILESCCOC(=O)C1=C[C@@H]2CCO[C@]12O[Si](C)(C)C
InChIInChI=1S/C12H20O4Si/c1-5-14-11(13)10-8-9-6-7-15-12(9,10)16-17(2,3)4/h8-9H,5-7H2,1-4H3/t9-,12+/m0/s1
InChIKeyTUCDCVLXBYTPHH-JOYOIKCWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The IUPAC name of ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate (CID 10729794) is ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate.
What is the SMILES notation for ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The canonical SMILES for ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate is CCOC(=O)C1=C[C@@H]2CCO[C@]12O[Si](C)(C)C.
What is the InChIKey of ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The InChIKey is TUCDCVLXBYTPHH-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-5-14-11(13)10-8-9-6-7-15-12(9,10)16-17(2,3)4/h8-9H,5-7H2,1-4H3/t9-,12+/m0/s1.
What are the key properties of ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
ethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-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 (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate is sourced from PubChem (CID 10729794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).