dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C15H24O4Si — CID 101094758

IUPACdimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)[C@H]2C[C@@H]1C=C2C[Si](C)(C)C
InChIInChI=1S/C15H24O4Si/c1-18-14(16)12-9-6-10(8-20(3,4)5)11(7-9)13(12)15(17)19-2/h6,9,11-13H,7-8H2,1-5H3/t9-,11-,12?,13?/m0/s1
InChIKeyGCOQEBIWWJQALX-FSDFLBQZSA-N
MW296.44 g/mol
LogP2.48
Rot. Bonds4

About dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 101094758) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID101094758
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namedimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCOC(=O)C1C(C(=O)OC)[C@H]2C[C@@H]1C=C2C[Si](C)(C)C
InChIInChI=1S/C15H24O4Si/c1-18-14(16)12-9-6-10(8-20(3,4)5)11(7-9)13(12)15(17)19-2/h6,9,11-13H,7-8H2,1-5H3/t9-,11-,12?,13?/m0/s1
InChIKeyGCOQEBIWWJQALX-FSDFLBQZSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 101094758) is dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is COC(=O)C1C(C(=O)OC)[C@H]2C[C@@H]1C=C2C[Si](C)(C)C.
What is the InChIKey of dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is GCOQEBIWWJQALX-FSDFLBQZSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-18-14(16)12-9-6-10(8-20(3,4)5)11(7-9)13(12)15(17)19-2/h6,9,11-13H,7-8H2,1-5H3/t9-,11-,12?,13?/m0/s1.
What are the key properties of dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,4R)-5-(trimethylsilylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 101094758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).