(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one

C12H26O4Si2 — CID 66695452

IUPAC(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one
SMILESC[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)CC(=O)O1
InChIInChI=1S/C12H26O4Si2/c1-17(2,3)14-9-11-7-10(8-12(13)15-11)16-18(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyLHOOGLCIOGDSBX-QWRGUYRKSA-N
MW290.51 g/mol
LogP2.76
Rot. Bonds5

About (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one

(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one (PubChem CID 66695452) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one
PubChem CID66695452
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Name(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one
SMILESC[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)CC(=O)O1
InChIInChI=1S/C12H26O4Si2/c1-17(2,3)14-9-11-7-10(8-12(13)15-11)16-18(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyLHOOGLCIOGDSBX-QWRGUYRKSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
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
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
Xylonic acid, 2,3,4-tris-O-(trimethylsilyl)-, delta-lactone, D-
CID 523413
(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one
CID 14768490
(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 134842430

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one?
The IUPAC name of (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one (CID 66695452) is (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one?
The canonical SMILES for (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one is C[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)CC(=O)O1.
What is the InChIKey of (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one?
The InChIKey is LHOOGLCIOGDSBX-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-17(2,3)14-9-11-7-10(8-12(13)15-11)16-18(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one?
(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one has a molecular weight of 290.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 66695452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).