(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol

C22H30O3Si — CID 51003204

IUPAC(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1OCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-15-21-20(23)14-16-24-21/h4-13,20-21,23H,14-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyDYIAJXGWTASSLZ-SFTDATJTSA-N
MW370.56 g/mol
LogP3.10
Rot. Bonds6

About (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol

(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol (PubChem CID 51003204) has the molecular formula C22H30O3Si and a molecular weight of 370.56 g/mol. Its IUPAC name is (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol
PubChem CID51003204
Molecular FormulaC22H30O3Si
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1OCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-15-21-20(23)14-16-24-21/h4-13,20-21,23H,14-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyDYIAJXGWTASSLZ-SFTDATJTSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.10
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 (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol?
The IUPAC name of (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol (CID 51003204) is (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol?
The canonical SMILES for (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol is CC(C)(C)[Si](OCC[C@@H]1OCC[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol?
The InChIKey is DYIAJXGWTASSLZ-SFTDATJTSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-15-21-20(23)14-16-24-21/h4-13,20-21,23H,14-17H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol?
(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol has a molecular weight of 370.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol is sourced from PubChem (CID 51003204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).