(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one

C12H24O5Si — CID 135039964

IUPAC(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)O[C@@H](C(O)O)C1
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(4,5)17-8-6-9(11(14)15)16-10(13)7-8/h8-9,11,14-15H,6-7H2,1-5H3/t8?,9-/m1/s1
InChIKeyHWLXKOIOCVMPJP-YGPZHTELSA-N
MW276.40 g/mol
LogP1.39
Rot. Bonds3

About (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one

(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one (PubChem CID 135039964) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one
PubChem CID135039964
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)O[C@@H](C(O)O)C1
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(4,5)17-8-6-9(11(14)15)16-10(13)7-8/h8-9,11,14-15H,6-7H2,1-5H3/t8?,9-/m1/s1
InChIKeyHWLXKOIOCVMPJP-YGPZHTELSA-N
XLogP1.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
CID 135037138
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxyoxepan-2-one
CID 135039910
(4S,5S,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208303

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one?
The IUPAC name of (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one (CID 135039964) is (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one.
What is the SMILES notation for (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one?
The canonical SMILES for (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one is CC(C)(C)[Si](C)(C)OC1CC(=O)O[C@@H](C(O)O)C1.
What is the InChIKey of (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one?
The InChIKey is HWLXKOIOCVMPJP-YGPZHTELSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)18(4,5)17-8-6-9(11(14)15)16-10(13)7-8/h8-9,11,14-15H,6-7H2,1-5H3/t8?,9-/m1/s1.
What are the key properties of (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one?
(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one has a molecular weight of 276.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one is sourced from PubChem (CID 135039964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).