(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one

C22H28O3Si — CID 11639253

IUPAC(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
SMILESCC[C@@H]1OC(=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-5-19-20(16-21(23)24-19)25-26(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-20H,5,16H2,1-4H3/t19-,20+/m0/s1
InChIKeyRSHOMPJSGIQVKC-VQTJNVASSA-N
MW368.55 g/mol
LogP3.66
Rot. Bonds5

About (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one

(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one (PubChem CID 11639253) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
PubChem CID11639253
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one
SMILESCC[C@@H]1OC(=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-5-19-20(16-21(23)24-19)25-26(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-20H,5,16H2,1-4H3/t19-,20+/m0/s1
InChIKeyRSHOMPJSGIQVKC-VQTJNVASSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.66
H-Bond Donors ≤ 50
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 (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one?
The IUPAC name of (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one (CID 11639253) is (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one is CC[C@@H]1OC(=O)C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one?
The InChIKey is RSHOMPJSGIQVKC-VQTJNVASSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-5-19-20(16-21(23)24-19)25-26(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-20H,5,16H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one?
(4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one has a molecular weight of 368.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-ethyloxolan-2-one is sourced from PubChem (CID 11639253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).