(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

C21H28O3Si — CID 24755864

IUPAC(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](O)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-14-17(22)15-23-18/h4-13,17-18,22H,14-16H2,1-3H3/t17-,18-/m0/s1
InChIKeyZMGWRBKHFXWHGI-ROUUACIJSA-N
MW356.54 g/mol
LogP2.71
Rot. Bonds5

About (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 24755864) has the molecular formula C21H28O3Si and a molecular weight of 356.54 g/mol. Its IUPAC name is (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
PubChem CID24755864
Molecular FormulaC21H28O3Si
Molecular Weight356.54 g/mol
Exact Mass356.18
IUPAC Name(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@H](O)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O3Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-14-17(22)15-23-18/h4-13,17-18,22H,14-16H2,1-3H3/t17-,18-/m0/s1
InChIKeyZMGWRBKHFXWHGI-ROUUACIJSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The IUPAC name of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (CID 24755864) is (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.
What is the SMILES notation for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The canonical SMILES for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is CC(C)(C)[Si](OC[C@@H]1C[C@H](O)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The InChIKey is ZMGWRBKHFXWHGI-ROUUACIJSA-N. The full InChI is InChI=1S/C21H28O3Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-14-17(22)15-23-18/h4-13,17-18,22H,14-16H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol has a molecular weight of 356.54 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 24755864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).