dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate

C14H22O6Si — CID 15467935

IUPACdimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCCC[C@@H]12
InChIInChI=1S/C14H22O6Si/c1-17-12(15)10-9-7-6-8-19-14(9,20-21(3,4)5)11(10)13(16)18-2/h9H,6-8H2,1-5H3/t9-,14+/m0/s1
InChIKeyOYGZQRRLYWBKAN-LKFCYVNXSA-N
MW314.41 g/mol
LogP1.62
Rot. Bonds4

About dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate

dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate (PubChem CID 15467935) has the molecular formula C14H22O6Si and a molecular weight of 314.41 g/mol. Its IUPAC name is dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate
PubChem CID15467935
Molecular FormulaC14H22O6Si
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Namedimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCCC[C@@H]12
InChIInChI=1S/C14H22O6Si/c1-17-12(15)10-9-7-6-8-19-14(9,20-21(3,4)5)11(10)13(16)18-2/h9H,6-8H2,1-5H3/t9-,14+/m0/s1
InChIKeyOYGZQRRLYWBKAN-LKFCYVNXSA-N
XLogP1.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.62
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,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate?
The IUPAC name of dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate (CID 15467935) is dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate.
What is the SMILES notation for dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate?
The canonical SMILES for dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2(O[Si](C)(C)C)OCCC[C@@H]12.
What is the InChIKey of dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate?
The InChIKey is OYGZQRRLYWBKAN-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H22O6Si/c1-17-12(15)10-9-7-6-8-19-14(9,20-21(3,4)5)11(10)13(16)18-2/h9H,6-8H2,1-5H3/t9-,14+/m0/s1.
What are the key properties of dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate?
dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,6S)-1-trimethylsilyloxy-2-oxabicyclo[4.2.0]oct-7-ene-7,8-dicarboxylate is sourced from PubChem (CID 15467935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).