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

C21H25FO3Si — CID 11760496

IUPAC(3R,5S)-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+/m0/s1
InChIKeyGYUNRABPNCIDMG-QFBILLFUSA-N
MW372.51 g/mol
LogP3.22
Rot. Bonds5

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

(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one (PubChem CID 11760496) has the molecular formula C21H25FO3Si and a molecular weight of 372.51 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
PubChem CID11760496
Molecular FormulaC21H25FO3Si
Molecular Weight372.51 g/mol
Exact Mass372.16
IUPAC Name(3R,5S)-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+/m0/s1
InChIKeyGYUNRABPNCIDMG-QFBILLFUSA-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'}

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Related Compounds

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-one
CID 11036001
3-((tert-butyldiphenylsilyl)oxy)dihydrofuran-2(3H)-one
CID 357852
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 10571352
cis-ethyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 101113638
trans-ethyl (1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropane-1-carboxylate
CID 134934274
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-phenylselanyloxolan-2-one
CID 134937918
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2Z,5E)-octa-2,5-dienyl]oxolan-2-one
CID 11374293
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
CID 11639253
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 11002733
(3R,5S)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-methyldihydrofuran-2(3H)-one
CID 11014072
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 11014073

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one (CID 11760496) is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The canonical SMILES for (3R,5S)-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 (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The InChIKey is GYUNRABPNCIDMG-QFBILLFUSA-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+/m0/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
(3R,5S)-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 (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-one is sourced from PubChem (CID 11760496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).