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

C11H18O4Si — CID 100932111

IUPACmethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate
SMILESCOC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C11H18O4Si/c1-13-10(12)8-7-11(15-16(2,3)4)9(8)5-6-14-11/h7,9H,5-6H2,1-4H3/t9-,11-/m0/s1
InChIKeySIKPMGVOZVKFFD-ONGXEEELSA-N
MW242.35 g/mol
LogP1.68
Rot. Bonds3

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

methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate (PubChem CID 100932111) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol. Its IUPAC name is methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate
PubChem CID100932111
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Namemethyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate
SMILESCOC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12
InChIInChI=1S/C11H18O4Si/c1-13-10(12)8-7-11(15-16(2,3)4)9(8)5-6-14-11/h7,9H,5-6H2,1-4H3/t9-,11-/m0/s1
InChIKeySIKPMGVOZVKFFD-ONGXEEELSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.68
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 methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
The IUPAC name of methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate (CID 100932111) is methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate.
What is the SMILES notation for methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
The canonical SMILES for methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate is COC(=O)C1=C[C@@]2(O[Si](C)(C)C)OCC[C@@H]12.
What is the InChIKey of methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
The InChIKey is SIKPMGVOZVKFFD-ONGXEEELSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-13-10(12)8-7-11(15-16(2,3)4)9(8)5-6-14-11/h7,9H,5-6H2,1-4H3/t9-,11-/m0/s1.
What are the key properties of methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate?
methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate has a molecular weight of 242.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5S)-1-trimethylsilyloxy-2-oxabicyclo[3.2.0]hept-6-ene-6-carboxylate is sourced from PubChem (CID 100932111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).