dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

C17H20O5Si — CID 11290502

IUPACdimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)O[C@@H]1c1ccccc12
InChIInChI=1S/C17H20O5Si/c1-20-15(18)12-13(16(19)21-2)17(23(3,4)5)11-9-7-6-8-10(11)14(12)22-17/h6-9,14H,1-5H3/t14-,17-/m1/s1
InChIKeyUVHDSZCOEZXKBE-RHSMWYFYSA-N
MW332.43 g/mol
LogP2.49
Rot. Bonds3

About dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate (PubChem CID 11290502) has the molecular formula C17H20O5Si and a molecular weight of 332.43 g/mol. Its IUPAC name is dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
PubChem CID11290502
Molecular FormulaC17H20O5Si
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Namedimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)O[C@@H]1c1ccccc12
InChIInChI=1S/C17H20O5Si/c1-20-15(18)12-13(16(19)21-2)17(23(3,4)5)11-9-7-6-8-10(11)14(12)22-17/h6-9,14H,1-5H3/t14-,17-/m1/s1
InChIKeyUVHDSZCOEZXKBE-RHSMWYFYSA-N
XLogP2.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-(1,3-Dihydro-2-benzofuran-1-yl)acetic acid
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CID 92448142
[(2S)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate
CID 162855599
[(2R)-4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]butan-2-yl] (Z)-2-methylbut-2-enoate
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Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The IUPAC name of dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate (CID 11290502) is dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The canonical SMILES for dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)O[C@@H]1c1ccccc12.
What is the InChIKey of dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The InChIKey is UVHDSZCOEZXKBE-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H20O5Si/c1-20-15(18)12-13(16(19)21-2)17(23(3,4)5)11-9-7-6-8-10(11)14(12)22-17/h6-9,14H,1-5H3/t14-,17-/m1/s1.
What are the key properties of dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate has a molecular weight of 332.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,8R)-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate is sourced from PubChem (CID 11290502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).