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

C22H28O4Si — CID 11406491

IUPAC(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
SMILESCC(C)(C)[Si](O[C@@H]1CC(=O)O[C@@H]1CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-20-16-21(24)25-19(20)14-15-23/h4-13,19-20,23H,14-16H2,1-3H3/t19-,20-/m1/s1
InChIKeyPHYBLKDXDNPFFJ-WOJBJXKFSA-N
MW384.55 g/mol
LogP2.63
Rot. Bonds6

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

(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one (PubChem CID 11406491) has the molecular formula C22H28O4Si and a molecular weight of 384.55 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
PubChem CID11406491
Molecular FormulaC22H28O4Si
Molecular Weight384.55 g/mol
Exact Mass384.18
IUPAC Name(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one
SMILESCC(C)(C)[Si](O[C@@H]1CC(=O)O[C@@H]1CCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-20-16-21(24)25-19(20)14-15-23/h4-13,19-20,23H,14-16H2,1-3H3/t19-,20-/m1/s1
InChIKeyPHYBLKDXDNPFFJ-WOJBJXKFSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one (CID 11406491) is (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one is CC(C)(C)[Si](O[C@@H]1CC(=O)O[C@@H]1CCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one?
The InChIKey is PHYBLKDXDNPFFJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-20-16-21(24)25-19(20)14-15-23/h4-13,19-20,23H,14-16H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one?
(4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one has a molecular weight of 384.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-one is sourced from PubChem (CID 11406491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).