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

C13H26O5Si — CID 10779889

IUPAC(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H]1CCC(=O)O1
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-/m1/s1
InChIKeyNRLMTIUEMQGBEL-CKYFFXLPSA-N
MW290.43 g/mol
LogP1.44
Rot. Bonds5

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

(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one (PubChem CID 10779889) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
PubChem CID10779889
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H]1CCC(=O)O1
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-/m1/s1
InChIKeyNRLMTIUEMQGBEL-CKYFFXLPSA-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

(4S,5S)-5-[(1S)-1-hydroxyethyl]-4-trimethylsilyloxolan-2-one
CID 13789597
(5S)-5-[[tert-butyl(dimethyl)silyl]oxy-[(2S)-5-oxooxolan-2-yl]methyl]oxolan-2-one
CID 14658518
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 24873843
3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 102368860
(2r,3s,6s)-Ethyl 6-(t-butyldimethylsilyloxy)-2,3-dihydroxyheptanoate
CID 129843402
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
CID 134840108
tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
CID 134879057
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
CID 134882512
ethyl (2R)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 135013071
dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate
CID 135046881
ethyl 8-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-2-hydroxy-1-(1-methylcyclopropyl)oxyethyl]oxolan-2-yl]octanoate
CID 138978688

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one (CID 10779889) is (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
The InChIKey is NRLMTIUEMQGBEL-CKYFFXLPSA-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-/m1/s1.
What are the key properties of (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one?
(5R)-5-[(1R,2R)-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 (5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one is sourced from PubChem (CID 10779889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).