(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol

C20H26O3Si — CID 15409688

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
SMILESCC(C)(C)[Si](O[C@H]1CCOC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-18-14-15-22-19(18)21/h4-13,18-19,21H,14-15H2,1-3H3/t18-,19?/m0/s1
InChIKeyPAQIYAXNJPGSQD-OYKVQYDMSA-N
MW342.51 g/mol
LogP2.67
Rot. Bonds4

About (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol

(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol (PubChem CID 15409688) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
PubChem CID15409688
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
SMILESCC(C)(C)[Si](O[C@H]1CCOC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-18-14-15-22-19(18)21/h4-13,18-19,21H,14-15H2,1-3H3/t18-,19?/m0/s1
InChIKeyPAQIYAXNJPGSQD-OYKVQYDMSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.67
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)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol (CID 15409688) is (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol is CC(C)(C)[Si](O[C@H]1CCOC1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
The InChIKey is PAQIYAXNJPGSQD-OYKVQYDMSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)24(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-18-14-15-22-19(18)21/h4-13,18-19,21H,14-15H2,1-3H3/t18-,19?/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol?
(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol has a molecular weight of 342.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol is sourced from PubChem (CID 15409688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).