3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one

C12H24O4Si — CID 154069490

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)OC1=O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-7-6-9(8-13)15-11(10)14/h9-10,13H,6-8H2,1-5H3
InChIKeyHSPKRXCXVSFFAM-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.07
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one

3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one (PubChem CID 154069490) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
PubChem CID154069490
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CO)OC1=O
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-7-6-9(8-13)15-11(10)14/h9-10,13H,6-8H2,1-5H3
InChIKeyHSPKRXCXVSFFAM-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
CID 14321488
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
ethyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypentanoate
CID 14992914
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
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanoic acid
CID 134882512
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
CID 135037138

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one (CID 154069490) is 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one is CC(C)(C)[Si](C)(C)OC1CCC(CO)OC1=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one?
The InChIKey is HSPKRXCXVSFFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-10-7-6-9(8-13)15-11(10)14/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one?
3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one has a molecular weight of 260.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 154069490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).