(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione

C17H20O4Si — CID 10710530

IUPAC(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione
SMILESC=C[C@@]1(O[Si](C)(C)C)C[C@@H]2C(=O)C(=O)O[C@@]21c1ccccc1
InChIInChI=1S/C17H20O4Si/c1-5-16(21-22(2,3)4)11-13-14(18)15(19)20-17(13,16)12-9-7-6-8-10-12/h5-10,13H,1,11H2,2-4H3/t13-,16-,17+/m1/s1
InChIKeyZJRWJFUBOMJHHL-XYPHTWIQSA-N
MW316.43 g/mol
LogP2.80
Rot. Bonds4

About (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione

(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione (PubChem CID 10710530) has the molecular formula C17H20O4Si and a molecular weight of 316.43 g/mol. Its IUPAC name is (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione.

Molecular Properties

Compound Name(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione
PubChem CID10710530
Molecular FormulaC17H20O4Si
Molecular Weight316.43 g/mol
Exact Mass316.11
IUPAC Name(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione
SMILESC=C[C@@]1(O[Si](C)(C)C)C[C@@H]2C(=O)C(=O)O[C@@]21c1ccccc1
InChIInChI=1S/C17H20O4Si/c1-5-16(21-22(2,3)4)11-13-14(18)15(19)20-17(13,16)12-9-7-6-8-10-12/h5-10,13H,1,11H2,2-4H3/t13-,16-,17+/m1/s1
InChIKeyZJRWJFUBOMJHHL-XYPHTWIQSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione?
The IUPAC name of (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione (CID 10710530) is (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione.
What is the SMILES notation for (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione?
The canonical SMILES for (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione is C=C[C@@]1(O[Si](C)(C)C)C[C@@H]2C(=O)C(=O)O[C@@]21c1ccccc1.
What is the InChIKey of (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione?
The InChIKey is ZJRWJFUBOMJHHL-XYPHTWIQSA-N. The full InChI is InChI=1S/C17H20O4Si/c1-5-16(21-22(2,3)4)11-13-14(18)15(19)20-17(13,16)12-9-7-6-8-10-12/h5-10,13H,1,11H2,2-4H3/t13-,16-,17+/m1/s1.
What are the key properties of (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione?
(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione has a molecular weight of 316.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione is sourced from PubChem (CID 10710530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).