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

C13H20O6Si — CID 10924578

IUPACdimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C13H20O6Si/c1-16-11(14)9-8-6-7-18-13(8,19-20(3,4)5)10(9)12(15)17-2/h8H,6-7H2,1-5H3/t8-,13+/m0/s1
InChIKeyDEZXAHDFGXFIOG-ISVAXAHUSA-N
MW300.38 g/mol
LogP1.23
Rot. Bonds4

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

dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate (PubChem CID 10924578) has the molecular formula C13H20O6Si and a molecular weight of 300.38 g/mol. Its IUPAC name is dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
PubChem CID10924578
Molecular FormulaC13H20O6Si
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Namedimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C13H20O6Si/c1-16-11(14)9-8-6-7-18-13(8,19-20(3,4)5)10(9)12(15)17-2/h8H,6-7H2,1-5H3/t8-,13+/m0/s1
InChIKeyDEZXAHDFGXFIOG-ISVAXAHUSA-N
XLogP1.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
The IUPAC name of dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate (CID 10924578) is dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate.
What is the SMILES notation for dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
The canonical SMILES for dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCC[C@@H]12.
What is the InChIKey of dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
The InChIKey is DEZXAHDFGXFIOG-ISVAXAHUSA-N. The full InChI is InChI=1S/C13H20O6Si/c1-16-11(14)9-8-6-7-18-13(8,19-20(3,4)5)10(9)12(15)17-2/h8H,6-7H2,1-5H3/t8-,13+/m0/s1.
What are the key properties of dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate?
dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate is sourced from PubChem (CID 10924578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).