(2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol

C21H28O2Si — CID 10871547

IUPAC(2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol
SMILESC[C@H]1[C@H](O)[C@H](c2ccccc2)CO[C@@H]1C[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-16-20(15-24(2,3)18-12-8-5-9-13-18)23-14-19(21(16)22)17-10-6-4-7-11-17/h4-13,16,19-22H,14-15H2,1-3H3/t16-,19+,20-,21+/m1/s1
InChIKeyZNNJQSXOLMRISJ-RCOXNQKVSA-N
MW340.54 g/mol
LogP3.78
Rot. Bonds4

About (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol

(2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol (PubChem CID 10871547) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol
PubChem CID10871547
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol
SMILESC[C@H]1[C@H](O)[C@H](c2ccccc2)CO[C@@H]1C[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-16-20(15-24(2,3)18-12-8-5-9-13-18)23-14-19(21(16)22)17-10-6-4-7-11-17/h4-13,16,19-22H,14-15H2,1-3H3/t16-,19+,20-,21+/m1/s1
InChIKeyZNNJQSXOLMRISJ-RCOXNQKVSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.78
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,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol?
The IUPAC name of (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol (CID 10871547) is (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol.
What is the SMILES notation for (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol?
The canonical SMILES for (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol is C[C@H]1[C@H](O)[C@H](c2ccccc2)CO[C@@H]1C[Si](C)(C)c1ccccc1.
What is the InChIKey of (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol?
The InChIKey is ZNNJQSXOLMRISJ-RCOXNQKVSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-16-20(15-24(2,3)18-12-8-5-9-13-18)23-14-19(21(16)22)17-10-6-4-7-11-17/h4-13,16,19-22H,14-15H2,1-3H3/t16-,19+,20-,21+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol?
(2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol has a molecular weight of 340.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-[[dimethyl(phenyl)silyl]methyl]-3-methyl-5-phenyloxan-4-ol is sourced from PubChem (CID 10871547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).