diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate

C16H25FO4Si — CID 50901532

IUPACdiethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2C(F)=C([Si](C)(C)C)C2C1
InChIInChI=1S/C16H25FO4Si/c1-6-20-14(18)16(15(19)21-7-2)8-10-11(9-16)13(12(10)17)22(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyBWLZQUVLVIXLKZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.24
Rot. Bonds5

About diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate

diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate (PubChem CID 50901532) has the molecular formula C16H25FO4Si and a molecular weight of 328.46 g/mol. Its IUPAC name is diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
PubChem CID50901532
Molecular FormulaC16H25FO4Si
Molecular Weight328.46 g/mol
Exact Mass328.15
IUPAC Namediethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2C(F)=C([Si](C)(C)C)C2C1
InChIInChI=1S/C16H25FO4Si/c1-6-20-14(18)16(15(19)21-7-2)8-10-11(9-16)13(12(10)17)22(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyBWLZQUVLVIXLKZ-UHFFFAOYSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Diethyl 6-fluoro-1,7-dimethylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 101505587
Diethyl 6-fluoro-1-methylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 101505585
Diethyl 6-fluoro-7-methylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 102259523
Diethyl 6-fluorobicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate
CID 102259527
trans-diethyl (3S,4S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]prop-1-enyl]-4-[(E)-3-trimethylstannylprop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 10053771
trans-diethyl (3S,4S)-3-[(E)-3-tributylstannylprop-1-enyl]-4-[(E)-3-trimethylsilylprop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 10055086
trans-diethyl (3S,4S)-3,4-bis[(E)-3-trimethylsilylprop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 10094699
trans-diethyl (3R,4R)-3-(1-tributylstannylethenyl)-4-(1-trimethylsilylethenyl)cyclopentane-1,1-dicarboxylate
CID 11377122
diethyl 3-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-[(Z)-prop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 11742319
trans-dimethyl (3S,4R)-3-[(E)-but-1-enyl]-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101154284
trans-dimethyl (3S,4R)-3-[(E)-4-deuteriobut-1-enyl]-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101154286
dimethyl (3Z)-3-[1-[ethyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 101229217

Frequently Asked Questions

What is the IUPAC name of diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate?
The IUPAC name of diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate (CID 50901532) is diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate.
What is the SMILES notation for diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate?
The canonical SMILES for diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC2C(F)=C([Si](C)(C)C)C2C1.
What is the InChIKey of diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate?
The InChIKey is BWLZQUVLVIXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO4Si/c1-6-20-14(18)16(15(19)21-7-2)8-10-11(9-16)13(12(10)17)22(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate?
diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate has a molecular weight of 328.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-fluoro-7-trimethylsilylbicyclo[3.2.0]hept-6-ene-3,3-dicarboxylate is sourced from PubChem (CID 50901532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).