4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one

C10H20O5Si — CID 123382075

IUPAC4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one
SMILESCC1C(CO)OC(=O)C(O[Si](C)(C)C)C1O
InChIInChI=1S/C10H20O5Si/c1-6-7(5-11)14-10(13)9(8(6)12)15-16(2,3)4/h6-9,11-12H,5H2,1-4H3
InChIKeyRWWZTISHQVERFN-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.12
Rot. Bonds3

About 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one

4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one (PubChem CID 123382075) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one
PubChem CID123382075
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one
SMILESCC1C(CO)OC(=O)C(O[Si](C)(C)C)C1O
InChIInChI=1S/C10H20O5Si/c1-6-7(5-11)14-10(13)9(8(6)12)15-16(2,3)4/h6-9,11-12H,5H2,1-4H3
InChIKeyRWWZTISHQVERFN-UHFFFAOYSA-N
XLogP0.12
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.12
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

(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
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
Diethyl 5-hydroxy-6-oxotetrahydro-2h-pyran-2,3-dicarboxylate
CID 129864375
(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
(5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-one
CID 135041602
3-C-Methyl-D-allono-1,5-lactone
CID 139071381
6-Hydroxymethyl-4-(tert-butyldimethylsilyloxy)-(4s,6r)-tetrahydro-2h-2-pyranone
CID 9943134
4,5-Dihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxyoxan-2-one
CID 17773831
(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carboxylic acid
CID 53678910

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one?
The IUPAC name of 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one (CID 123382075) is 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one.
What is the SMILES notation for 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one?
The canonical SMILES for 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one is CC1C(CO)OC(=O)C(O[Si](C)(C)C)C1O.
What is the InChIKey of 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one?
The InChIKey is RWWZTISHQVERFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-6-7(5-11)14-10(13)9(8(6)12)15-16(2,3)4/h6-9,11-12H,5H2,1-4H3.
What are the key properties of 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one?
4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one has a molecular weight of 248.35 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(hydroxymethyl)-5-methyl-3-trimethylsilyloxyoxan-2-one is sourced from PubChem (CID 123382075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).