(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one

C13H26O4Si — CID 10880317

IUPAC(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one
SMILESCO[C@@H]1CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C13H26O4Si/c1-9-12(10(14)8-11(15-5)16-9)17-18(6,7)13(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11-,12+/m0/s1
InChIKeyRGDWJIIHWDYQSD-ZMLRMANQSA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds3

About (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one

(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one (PubChem CID 10880317) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one.

Molecular Properties

Compound Name(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one
PubChem CID10880317
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one
SMILESCO[C@@H]1CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C13H26O4Si/c1-9-12(10(14)8-11(15-5)16-9)17-18(6,7)13(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11-,12+/m0/s1
InChIKeyRGDWJIIHWDYQSD-ZMLRMANQSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyldihydro-2H-pyran-4(3H)-one
CID 91801309
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 46838235
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-dioxan-2-yl)pentan-3-one
CID 11483490
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one
CID 10706487
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-oxan-2-yl]oxypropanal
CID 57243235
CID 148052523
CID 148052523
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoate
CID 173764078
(2S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxane-2-carbaldehyde
CID 173844226
[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl] propanoate
CID 175059571
(2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-one
CID 10945657
3-[(2S,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxypropanal
CID 11001142

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one?
The IUPAC name of (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one (CID 10880317) is (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one.
What is the SMILES notation for (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one?
The canonical SMILES for (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one is CO[C@@H]1CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O1.
What is the InChIKey of (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one?
The InChIKey is RGDWJIIHWDYQSD-ZMLRMANQSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-9-12(10(14)8-11(15-5)16-9)17-18(6,7)13(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11-,12+/m0/s1.
What are the key properties of (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one?
(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one has a molecular weight of 274.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-4-one is sourced from PubChem (CID 10880317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).