(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one

C23H30O4Si — CID 71523782

IUPAC(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCC[C@H](O)[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-23(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-17-16-20(24)21-14-15-22(25)27-21/h4-13,20-21,24H,14-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyMHMBMWPPEWTAMH-SFTDATJTSA-N
MW398.58 g/mol
LogP3.02
Rot. Bonds7

About (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one

(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one (PubChem CID 71523782) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
PubChem CID71523782
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](OCC[C@H](O)[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O4Si/c1-23(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-17-16-20(24)21-14-15-22(25)27-21/h4-13,20-21,24H,14-17H2,1-3H3/t20-,21-/m0/s1
InChIKeyMHMBMWPPEWTAMH-SFTDATJTSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.02
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 (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one (CID 71523782) is (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one is CC(C)(C)[Si](OCC[C@H](O)[C@@H]1CCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
The InChIKey is MHMBMWPPEWTAMH-SFTDATJTSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-23(2,3)28(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-17-16-20(24)21-14-15-22(25)27-21/h4-13,20-21,24H,14-17H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one?
(5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one has a molecular weight of 398.58 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 71523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).