[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate

C23H29FO4Si — CID 10788072

IUPAC[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C23H29FO4Si/c1-17(25)27-22-21(24)15-18(28-22)16-26-29(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22H,15-16H2,1-4H3/t18-,21+,22+/m1/s1
InChIKeySNEMZRPTEPGRFO-COPCDDAFSA-N
MW416.57 g/mol
LogP3.58
Rot. Bonds6

About [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate

[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate (PubChem CID 10788072) has the molecular formula C23H29FO4Si and a molecular weight of 416.57 g/mol. Its IUPAC name is [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
PubChem CID10788072
Molecular FormulaC23H29FO4Si
Molecular Weight416.57 g/mol
Exact Mass416.18
IUPAC Name[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C23H29FO4Si/c1-17(25)27-22-21(24)15-18(28-22)16-26-29(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22H,15-16H2,1-4H3/t18-,21+,22+/m1/s1
InChIKeySNEMZRPTEPGRFO-COPCDDAFSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate?
The IUPAC name of [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate (CID 10788072) is [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate.
What is the SMILES notation for [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate?
The canonical SMILES for [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate is CC(=O)O[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate?
The InChIKey is SNEMZRPTEPGRFO-COPCDDAFSA-N. The full InChI is InChI=1S/C23H29FO4Si/c1-17(25)27-22-21(24)15-18(28-22)16-26-29(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21-22H,15-16H2,1-4H3/t18-,21+,22+/m1/s1.
What are the key properties of [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate?
[(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate has a molecular weight of 416.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl] acetate is sourced from PubChem (CID 10788072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).