dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate

C15H24O6Si — CID 15467936

IUPACdimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCCCC[C@@H]12
InChIInChI=1S/C15H24O6Si/c1-18-13(16)11-10-8-6-7-9-20-15(10,21-22(3,4)5)12(11)14(17)19-2/h10H,6-9H2,1-5H3/t10-,15+/m0/s1
InChIKeyZPLGOSRSMZBNSC-ZUZCIYMTSA-N
MW328.44 g/mol
LogP2.01
Rot. Bonds4

About dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate

dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate (PubChem CID 15467936) has the molecular formula C15H24O6Si and a molecular weight of 328.44 g/mol. Its IUPAC name is dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate
PubChem CID15467936
Molecular FormulaC15H24O6Si
Molecular Weight328.44 g/mol
Exact Mass328.13
IUPAC Namedimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCCCC[C@@H]12
InChIInChI=1S/C15H24O6Si/c1-18-13(16)11-10-8-6-7-9-20-15(10,21-22(3,4)5)12(11)14(17)19-2/h10H,6-9H2,1-5H3/t10-,15+/m0/s1
InChIKeyZPLGOSRSMZBNSC-ZUZCIYMTSA-N
XLogP2.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.01
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,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate?
The IUPAC name of dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate (CID 15467936) is dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate.
What is the SMILES notation for dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate?
The canonical SMILES for dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCCCC[C@@H]12.
What is the InChIKey of dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate?
The InChIKey is ZPLGOSRSMZBNSC-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H24O6Si/c1-18-13(16)11-10-8-6-7-9-20-15(10,21-22(3,4)5)12(11)14(17)19-2/h10H,6-9H2,1-5H3/t10-,15+/m0/s1.
What are the key properties of dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate?
dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate has a molecular weight of 328.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,7S)-1-trimethylsilyloxy-2-oxabicyclo[5.2.0]non-8-ene-8,9-dicarboxylate is sourced from PubChem (CID 15467936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).