(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one

C13H26O4Si — CID 11076646

IUPAC(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one
SMILESCO[C@H]1CC(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)16-9-11-7-10(15-4)8-12(14)17-11/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyJQULZIWAZYVPNE-GHMZBOCLSA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds4

About (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one

(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one (PubChem CID 11076646) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one.

Molecular Properties

Compound Name(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one
PubChem CID11076646
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one
SMILESCO[C@H]1CC(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)16-9-11-7-10(15-4)8-12(14)17-11/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeyJQULZIWAZYVPNE-GHMZBOCLSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.73
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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
methyl 3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propanoate
CID 44438950
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(iodomethyl)-tetrahydropyran-2-one
CID 10937529
(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
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one
CID 14768490
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
CID 15547025

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one?
The IUPAC name of (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one (CID 11076646) is (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one.
What is the SMILES notation for (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one?
The canonical SMILES for (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one is CO[C@H]1CC(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one?
The InChIKey is JQULZIWAZYVPNE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(5,6)16-9-11-7-10(15-4)8-12(14)17-11/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one?
(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one has a molecular weight of 274.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-2-one is sourced from PubChem (CID 11076646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).