ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate

C13H22O4Si — CID 15467937

IUPACethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
SMILESCCOC(=O)C1=C[C@@H]2C[C@H](C)O[C@]12O[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-6-15-12(14)11-8-10-7-9(2)16-13(10,11)17-18(3,4)5/h8-10H,6-7H2,1-5H3/t9-,10-,13+/m0/s1
InChIKeyBFGALCPFCGNJKW-OUJBWJOFSA-N
MW270.40 g/mol
LogP2.46
Rot. Bonds4

About ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate

ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate (PubChem CID 15467937) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
PubChem CID15467937
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Nameethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate
SMILESCCOC(=O)C1=C[C@@H]2C[C@H](C)O[C@]12O[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-6-15-12(14)11-8-10-7-9(2)16-13(10,11)17-18(3,4)5/h8-10H,6-7H2,1-5H3/t9-,10-,13+/m0/s1
InChIKeyBFGALCPFCGNJKW-OUJBWJOFSA-N
XLogP2.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.46
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,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The IUPAC name of ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate (CID 15467937) is ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate.
What is the SMILES notation for ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The canonical SMILES for ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate is CCOC(=O)C1=C[C@@H]2C[C@H](C)O[C@]12O[Si](C)(C)C.
What is the InChIKey of ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
The InChIKey is BFGALCPFCGNJKW-OUJBWJOFSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-6-15-12(14)11-8-10-7-9(2)16-13(10,11)17-18(3,4)5/h8-10H,6-7H2,1-5H3/t9-,10-,13+/m0/s1.
What are the key properties of ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate?
ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,3S,5S)-3-methyl-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-7-carboxylate is sourced from PubChem (CID 15467937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).