(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one

C12H24O4Si — CID 135037138

IUPAC(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
SMILESC[C@H]1OC(=O)C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-8-11(9(13)7-10(14)15-8)16-17(5,6)12(2,3)4/h8-9,11,13H,7H2,1-6H3/t8-,9-,11-/m1/s1
InChIKeyGPJBPSBOSXJTSF-FXPVBKGRSA-N
MW260.41 g/mol
LogP2.07
Rot. Bonds2

About (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one

(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one (PubChem CID 135037138) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
PubChem CID135037138
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
SMILESC[C@H]1OC(=O)C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-8-11(9(13)7-10(14)15-8)16-17(5,6)12(2,3)4/h8-9,11,13H,7H2,1-6H3/t8-,9-,11-/m1/s1
InChIKeyGPJBPSBOSXJTSF-FXPVBKGRSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyethyl]oxolan-2-one
CID 134840108
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one
CID 135039964
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one?
The IUPAC name of (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one (CID 135037138) is (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one.
What is the SMILES notation for (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one?
The canonical SMILES for (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one is C[C@H]1OC(=O)C[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one?
The InChIKey is GPJBPSBOSXJTSF-FXPVBKGRSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-8-11(9(13)7-10(14)15-8)16-17(5,6)12(2,3)4/h8-9,11,13H,7H2,1-6H3/t8-,9-,11-/m1/s1.
What are the key properties of (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one?
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one has a molecular weight of 260.41 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one is sourced from PubChem (CID 135037138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).