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

C21H25FO3Si — CID 10571352

IUPAC(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](F)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25FO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKeyGYUNRABPNCIDMG-APWZRJJASA-N
MW372.51 g/mol
LogP3.22
Rot. Bonds5

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

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one (PubChem CID 10571352) has the molecular formula C21H25FO3Si and a molecular weight of 372.51 g/mol. Its IUPAC name is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
PubChem CID10571352
Molecular FormulaC21H25FO3Si
Molecular Weight372.51 g/mol
Exact Mass372.16
IUPAC Name(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](F)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25FO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKeyGYUNRABPNCIDMG-APWZRJJASA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The IUPAC name of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one (CID 10571352) is (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one.
What is the SMILES notation for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The canonical SMILES for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one is CC(C)(C)[Si](OC[C@H]1C[C@H](F)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The InChIKey is GYUNRABPNCIDMG-APWZRJJASA-N. The full InChI is InChI=1S/C21H25FO3Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19H,14-15H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one has a molecular weight of 372.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one is sourced from PubChem (CID 10571352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).