(2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol

C21H28O2Si — CID 15856894

IUPAC(2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol
SMILESC[Si](C)(C[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-24(2,20-11-7-4-8-12-20)16-19-14-21(22)18(15-23-19)13-17-9-5-3-6-10-17/h3-12,18-19,21-22H,13-16H2,1-2H3/t18-,19+,21+/m1/s1
InChIKeyJDQKTXDGXFLEMS-DYXWJJEUSA-N
MW340.54 g/mol
LogP3.61
Rot. Bonds5

About (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol

(2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol (PubChem CID 15856894) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol
PubChem CID15856894
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol
SMILESC[Si](C)(C[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-24(2,20-11-7-4-8-12-20)16-19-14-21(22)18(15-23-19)13-17-9-5-3-6-10-17/h3-12,18-19,21-22H,13-16H2,1-2H3/t18-,19+,21+/m1/s1
InChIKeyJDQKTXDGXFLEMS-DYXWJJEUSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol?
The IUPAC name of (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol (CID 15856894) is (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol.
What is the SMILES notation for (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol?
The canonical SMILES for (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol is C[Si](C)(C[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)CO1)c1ccccc1.
What is the InChIKey of (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol?
The InChIKey is JDQKTXDGXFLEMS-DYXWJJEUSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-24(2,20-11-7-4-8-12-20)16-19-14-21(22)18(15-23-19)13-17-9-5-3-6-10-17/h3-12,18-19,21-22H,13-16H2,1-2H3/t18-,19+,21+/m1/s1.
What are the key properties of (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol?
(2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol has a molecular weight of 340.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-benzyl-2-[[dimethyl(phenyl)silyl]methyl]oxan-4-ol is sourced from PubChem (CID 15856894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).