ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate

C15H29FO3Si — CID 11483539

IUPACethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC[C@](F)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29FO3Si/c1-7-18-13(17)12-8-9-15(16,10-12)11-19-20(5,6)14(2,3)4/h12H,7-11H2,1-6H3/t12?,15-/m1/s1
InChIKeyWLAPZDFKHZWPBP-WPZCJLIBSA-N
MW304.48 g/mol
LogP4.08
Rot. Bonds5

About ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate

ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate (PubChem CID 11483539) has the molecular formula C15H29FO3Si and a molecular weight of 304.48 g/mol. Its IUPAC name is ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate
PubChem CID11483539
Molecular FormulaC15H29FO3Si
Molecular Weight304.48 g/mol
Exact Mass304.19
IUPAC Nameethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC[C@](F)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H29FO3Si/c1-7-18-13(17)12-8-9-15(16,10-12)11-19-20(5,6)14(2,3)4/h12H,7-11H2,1-6H3/t12?,15-/m1/s1
InChIKeyWLAPZDFKHZWPBP-WPZCJLIBSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.08
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 (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate (CID 11483539) is ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate is CCOC(=O)C1CC[C@](F)(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate?
The InChIKey is WLAPZDFKHZWPBP-WPZCJLIBSA-N. The full InChI is InChI=1S/C15H29FO3Si/c1-7-18-13(17)12-8-9-15(16,10-12)11-19-20(5,6)14(2,3)4/h12H,7-11H2,1-6H3/t12?,15-/m1/s1.
What are the key properties of ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate?
ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate has a molecular weight of 304.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 11483539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).