[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol

C13H28O3Si — CID 14336220

IUPAC[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]1(C)CO
InChIInChI=1S/C13H28O3Si/c1-10(11-13(5,9-14)16-11)8-15-17(6,7)12(2,3)4/h10-11,14H,8-9H2,1-7H3/t10-,11+,13-/m0/s1
InChIKeyFRFPQEVFNJKUTK-LOWVWBTDSA-N
MW260.45 g/mol
LogP2.79
Rot. Bonds5

About [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol

[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol (PubChem CID 14336220) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol
PubChem CID14336220
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]1(C)CO
InChIInChI=1S/C13H28O3Si/c1-10(11-13(5,9-14)16-11)8-15-17(6,7)12(2,3)4/h10-11,14H,8-9H2,1-7H3/t10-,11+,13-/m0/s1
InChIKeyFRFPQEVFNJKUTK-LOWVWBTDSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol 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

[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methanol
CID 11665702
[(2R,3S)-3-{[(tert-butyldimethylsilyl)oxy]methyl}oxiran-2-yl]methanol
CID 11715506
[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methanol
CID 13841130
1-[Tert-butyl(dimethyl)silyl]oxy-3-(oxiran-2-yl)propan-2-ol
CID 59365078
[(2R,3R)-3-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-oxiranyl]methanol
CID 11127759
(2R,3R,4R)-2,3-Epoxy-4,5-bis(triisopropylsiloxy)-2-methylpent-1-ol
CID 11224982
[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-tri(propan-2-yl)silyloxyethyl]-2-methyloxiran-2-yl]methanol
CID 11811835
[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
CID 46933875
[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 54597457
[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 134842022
(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol
CID 134855207
[(2R)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134967096

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol (CID 14336220) is [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol?
The InChIKey is FRFPQEVFNJKUTK-LOWVWBTDSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(11-13(5,9-14)16-11)8-15-17(6,7)12(2,3)4/h10-11,14H,8-9H2,1-7H3/t10-,11+,13-/m0/s1.
What are the key properties of [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol?
[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol has a molecular weight of 260.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 14336220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).