diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate

C17H28O4Si — CID 102078823

IUPACdiethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2CC2(/C=C\[Si](C)(C)C)C1
InChIInChI=1S/C17H28O4Si/c1-6-20-14(18)17(15(19)21-7-2)11-13-10-16(13,12-17)8-9-22(3,4)5/h8-9,13H,6-7,10-12H2,1-5H3/b9-8-
InChIKeyKSFOQNFESDUXMS-HJWRWDBZSA-N
MW324.49 g/mol
LogP3.33
Rot. Bonds6

About diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate

diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate (PubChem CID 102078823) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
PubChem CID102078823
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namediethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2CC2(/C=C\[Si](C)(C)C)C1
InChIInChI=1S/C17H28O4Si/c1-6-20-14(18)17(15(19)21-7-2)11-13-10-16(13,12-17)8-9-22(3,4)5/h8-9,13H,6-7,10-12H2,1-5H3/b9-8-
InChIKeyKSFOQNFESDUXMS-HJWRWDBZSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate?
The IUPAC name of diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate (CID 102078823) is diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate.
What is the SMILES notation for diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate?
The canonical SMILES for diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC2CC2(/C=C\[Si](C)(C)C)C1.
What is the InChIKey of diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate?
The InChIKey is KSFOQNFESDUXMS-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-6-20-14(18)17(15(19)21-7-2)11-13-10-16(13,12-17)8-9-22(3,4)5/h8-9,13H,6-7,10-12H2,1-5H3/b9-8-.
What are the key properties of diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate?
diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate has a molecular weight of 324.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate is sourced from PubChem (CID 102078823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).