ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate

C24H31FO3Si — CID 169142929

IUPACethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C24H31FO3Si/c1-5-27-23(26)18-16-21(25)22(17-18)28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21-22H,5,16-17H2,1-4H3/t18-,21-,22-/m0/s1
InChIKeyAAYPCZLYJGPVMS-NYVOZVTQSA-N
MW414.59 g/mol
LogP4.24
Rot. Bonds6

About ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate

ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate (PubChem CID 169142929) has the molecular formula C24H31FO3Si and a molecular weight of 414.59 g/mol. Its IUPAC name is ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
PubChem CID169142929
Molecular FormulaC24H31FO3Si
Molecular Weight414.59 g/mol
Exact Mass414.20
IUPAC Nameethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C24H31FO3Si/c1-5-27-23(26)18-16-21(25)22(17-18)28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21-22H,5,16-17H2,1-4H3/t18-,21-,22-/m0/s1
InChIKeyAAYPCZLYJGPVMS-NYVOZVTQSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.24
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 (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate (CID 169142929) is ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)C1.
What is the InChIKey of ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
The InChIKey is AAYPCZLYJGPVMS-NYVOZVTQSA-N. The full InChI is InChI=1S/C24H31FO3Si/c1-5-27-23(26)18-16-21(25)22(17-18)28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21-22H,5,16-17H2,1-4H3/t18-,21-,22-/m0/s1.
What are the key properties of ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate?
ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate has a molecular weight of 414.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 169142929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).