ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate

C15H28O3Si — CID 134832039

IUPACethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CCCC21O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O3Si/c1-5-17-14(16)13-12-10-9-11-15(12,13)18-19(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3
InChIKeyMLPMEGFECGNOOB-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.74
Rot. Bonds7

About ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate

ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 134832039) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID134832039
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)C1C2CCCC21O[Si](CC)(CC)CC
InChIInChI=1S/C15H28O3Si/c1-5-17-14(16)13-12-10-9-11-15(12,13)18-19(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3
InChIKeyMLPMEGFECGNOOB-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate (CID 134832039) is ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)C1C2CCCC21O[Si](CC)(CC)CC.
What is the InChIKey of ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is MLPMEGFECGNOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-5-17-14(16)13-12-10-9-11-15(12,13)18-19(6-2,7-3)8-4/h12-13H,5-11H2,1-4H3.
What are the key properties of ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate?
ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-triethylsilyloxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 134832039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).