(2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol

C21H28O2Si — CID 11302255

IUPAC(2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](C[Si](C)(C)C(c2ccccc2)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C21H28O2Si/c1-16-20(22)14-19(23-16)15-24(2,3)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-22H,14-15H2,1-3H3/t16-,19-,20-/m0/s1
InChIKeyPWDFKPXEQAPRIM-VDGAXYAQSA-N
MW340.54 g/mol
LogP4.60
Rot. Bonds5

About (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol

(2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol (PubChem CID 11302255) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol
PubChem CID11302255
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](C[Si](C)(C)C(c2ccccc2)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C21H28O2Si/c1-16-20(22)14-19(23-16)15-24(2,3)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-22H,14-15H2,1-3H3/t16-,19-,20-/m0/s1
InChIKeyPWDFKPXEQAPRIM-VDGAXYAQSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol 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 (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol?
The IUPAC name of (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol (CID 11302255) is (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol is C[C@@H]1O[C@H](C[Si](C)(C)C(c2ccccc2)c2ccccc2)C[C@@H]1O.
What is the InChIKey of (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol?
The InChIKey is PWDFKPXEQAPRIM-VDGAXYAQSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-16-20(22)14-19(23-16)15-24(2,3)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-22H,14-15H2,1-3H3/t16-,19-,20-/m0/s1.
What are the key properties of (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol?
(2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol has a molecular weight of 340.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-5-[[benzhydryl(dimethyl)silyl]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 11302255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).