dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

C14H20O4Si — CID 15140312

IUPACdimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1C2[Si](C)(C)C
InChIInChI=1S/C14H20O4Si/c1-17-13(15)10-8-6-7-9(11(10)14(16)18-2)12(8)19(3,4)5/h6-9,12H,1-5H3/t8-,9+,12?
InChIKeyJASLHZRTLJCAKX-USUYBEQLSA-N
MW280.40 g/mol
LogP2.15
Rot. Bonds3

About dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (PubChem CID 15140312) has the molecular formula C14H20O4Si and a molecular weight of 280.40 g/mol. Its IUPAC name is dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
PubChem CID15140312
Molecular FormulaC14H20O4Si
Molecular Weight280.40 g/mol
Exact Mass280.11
IUPAC Namedimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1C2[Si](C)(C)C
InChIInChI=1S/C14H20O4Si/c1-17-13(15)10-8-6-7-9(11(10)14(16)18-2)12(8)19(3,4)5/h6-9,12H,1-5H3/t8-,9+,12?
InChIKeyJASLHZRTLJCAKX-USUYBEQLSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.15
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 (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The IUPAC name of dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate (CID 15140312) is dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The canonical SMILES for dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1C2[Si](C)(C)C.
What is the InChIKey of dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
The InChIKey is JASLHZRTLJCAKX-USUYBEQLSA-N. The full InChI is InChI=1S/C14H20O4Si/c1-17-13(15)10-8-6-7-9(11(10)14(16)18-2)12(8)19(3,4)5/h6-9,12H,1-5H3/t8-,9+,12?.
What are the key properties of dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate?
dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate has a molecular weight of 280.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1S,4R)-7-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate is sourced from PubChem (CID 15140312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).