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

C13H26O5Si — CID 10732272

IUPAC(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@@H]1CCC(=O)O1)[C@@H](O)CO
InChIInChI=1S/C13H26O5Si/c1-13(2,3)19(4,5)18-12(9(15)8-14)10-6-7-11(16)17-10/h9-10,12,14-15H,6-8H2,1-5H3/t9-,10-,12-/m0/s1
InChIKeyNRLMTIUEMQGBEL-NHCYSSNCSA-N
MW290.43 g/mol
LogP1.44
Rot. Bonds5

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

(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one (PubChem CID 10732272) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
PubChem CID10732272
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@@H]1CCC(=O)O1)[C@@H](O)CO
InChIInChI=1S/C13H26O5Si/c1-13(2,3)19(4,5)18-12(9(15)8-14)10-6-7-11(16)17-10/h9-10,12,14-15H,6-8H2,1-5H3/t9-,10-,12-/m0/s1
InChIKeyNRLMTIUEMQGBEL-NHCYSSNCSA-N
XLogP1.44
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(2R)-5-oxooxolan-2-yl]propanal
CID 10621168
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
CID 69292086
(5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 10720614
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
(5S)-5-[(1R)-2-bromo-1-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-2-one
CID 100999050
2,2-dimethoxypropane;5-(hydroxymethyl)oxolan-2-one
CID 164881798
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-one
CID 11488203
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one (CID 10732272) is (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H]([C@@H]1CCC(=O)O1)[C@@H](O)CO.
What is the InChIKey of (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
The InChIKey is NRLMTIUEMQGBEL-NHCYSSNCSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-13(2,3)19(4,5)18-12(9(15)8-14)10-6-7-11(16)17-10/h9-10,12,14-15H,6-8H2,1-5H3/t9-,10-,12-/m0/s1.
What are the key properties of (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one has a molecular weight of 290.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one is sourced from PubChem (CID 10732272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).