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

C11H21FO3Si — CID 10901006

IUPAC(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](F)C(=O)O1
InChIInChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)14-7-8-6-9(12)10(13)15-8/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyNRLOOKJAOFWAOM-IUCAKERBSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds3

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

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one (PubChem CID 10901006) has the molecular formula C11H21FO3Si and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
PubChem CID10901006
Molecular FormulaC11H21FO3Si
Molecular Weight248.37 g/mol
Exact Mass248.12
IUPAC Name(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](F)C(=O)O1
InChIInChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)14-7-8-6-9(12)10(13)15-8/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyNRLOOKJAOFWAOM-IUCAKERBSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,5S)-5-[[tert-butyl(dimethyl)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

Related Compounds

(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10709198
(5S)-5-{[(tert-butyldimethylsilyl)oxy]methyl}oxolan-2-one
CID 10014094
2,3-Dideoxy-3-C-methyl-5-O-tert-butyldimethylsilyl-D-erythro-pentono-1,4-lactone
CID 102292925
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-2-one
CID 10400493
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10732826
(4R,5S)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
CID 24753142
(4R,5R)-4-fluoro-5-[tri(propan-2-yl)silylmethyl]oxolan-2-one
CID 24753143
(3S,4R,5R)-3-fluoro-4-((triisopropylsilyl)oxy)-5-(((triisopropylsilyl)oxy)methyl)-dihydrofuran-2(3H)-one
CID 44240200
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 44240461
5-[1-[Tert-butyl(dimethyl)silyl]oxy-2,2,2-trifluoroethyl]oxolan-2-one
CID 54542353
(4R,5R)-3-fluoro-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 140897889
methyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluorooxolane-2-carboxylate
CID 169141797

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The IUPAC name of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one (CID 10901006) is (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The canonical SMILES for (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](F)C(=O)O1.
What is the InChIKey of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
The InChIKey is NRLOOKJAOFWAOM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)14-7-8-6-9(12)10(13)15-8/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one?
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one is sourced from PubChem (CID 10901006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).