(5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one

C21H34O4Si — CID 134918726

IUPAC(5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccccc1)[C@@H]1CCC(=O)O1
InChIInChI=1S/C21H34O4Si/c1-16(14-24-26(5,6)21(2,3)4)20(18-12-13-19(22)25-18)23-15-17-10-8-7-9-11-17/h7-11,16,18,20H,12-15H2,1-6H3/t16-,18+,20-/m1/s1
InChIKeyCPJSXRLMVBOUOB-IMFGXOCKSA-N
MW378.59 g/mol
LogP4.94
Rot. Bonds8

About (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one

(5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one (PubChem CID 134918726) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
PubChem CID134918726
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name(5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccccc1)[C@@H]1CCC(=O)O1
InChIInChI=1S/C21H34O4Si/c1-16(14-24-26(5,6)21(2,3)4)20(18-12-13-19(22)25-18)23-15-17-10-8-7-9-11-17/h7-11,16,18,20H,12-15H2,1-6H3/t16-,18+,20-/m1/s1
InChIKeyCPJSXRLMVBOUOB-IMFGXOCKSA-N
XLogP4.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
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-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one (CID 134918726) is (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc1ccccc1)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
The InChIKey is CPJSXRLMVBOUOB-IMFGXOCKSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-16(14-24-26(5,6)21(2,3)4)20(18-12-13-19(22)25-18)23-15-17-10-8-7-9-11-17/h7-11,16,18,20H,12-15H2,1-6H3/t16-,18+,20-/m1/s1.
What are the key properties of (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one?
(5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one has a molecular weight of 378.59 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one is sourced from PubChem (CID 134918726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).