5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one

C22H26F2O3Si — CID 155728008

IUPAC5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one
SMILESCC(C)(C)[Si](OCCC1CC(F)(F)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26F2O3Si/c1-21(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-15-14-17-16-22(23,24)20(25)27-17/h4-13,17H,14-16H2,1-3H3
InChIKeyCGRRLWJYDRGOLB-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.90
Rot. Bonds6

About 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one

5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one (PubChem CID 155728008) has the molecular formula C22H26F2O3Si and a molecular weight of 404.53 g/mol. Its IUPAC name is 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one
PubChem CID155728008
Molecular FormulaC22H26F2O3Si
Molecular Weight404.53 g/mol
Exact Mass404.16
IUPAC Name5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one
SMILESCC(C)(C)[Si](OCCC1CC(F)(F)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26F2O3Si/c1-21(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-15-14-17-16-22(23,24)20(25)27-17/h4-13,17H,14-16H2,1-3H3
InChIKeyCGRRLWJYDRGOLB-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.90
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 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one (CID 155728008) is 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one is CC(C)(C)[Si](OCCC1CC(F)(F)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one?
The InChIKey is CGRRLWJYDRGOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O3Si/c1-21(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-15-14-17-16-22(23,24)20(25)27-17/h4-13,17H,14-16H2,1-3H3.
What are the key properties of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one?
5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one has a molecular weight of 404.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 155728008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).