(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one

C14H28O3Si — CID 15547025

IUPAC(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C)[C@@H](C)OC(=O)[C@H]1C
InChIInChI=1S/C14H28O3Si/c1-7-18(8-2,9-3)17-13-10(4)12(6)16-14(15)11(13)5/h10-13H,7-9H2,1-6H3/t10-,11+,12-,13-/m1/s1
InChIKeyRQYKCESZFJTYPX-YVECIDJPSA-N
MW272.46 g/mol
LogP3.59
Rot. Bonds5

About (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one

(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one (PubChem CID 15547025) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
PubChem CID15547025
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@H](C)[C@@H](C)OC(=O)[C@H]1C
InChIInChI=1S/C14H28O3Si/c1-7-18(8-2,9-3)17-13-10(4)12(6)16-14(15)11(13)5/h10-13H,7-9H2,1-6H3/t10-,11+,12-,13-/m1/s1
InChIKeyRQYKCESZFJTYPX-YVECIDJPSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(iodomethyl)-tetrahydropyran-2-one
CID 10937529
4-(tert-Butyldimethylsiloxy)-3,4,5,6-tetrahydro-6-methyl-3-(2-oxopropyl)-2H-pyran-2-one
CID 130361
(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
CID 10849827
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
CID 10935553
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxepan-2-one
CID 11086444
2-[(2S,3S,4S,5R)-3,5-dimethyl-6-oxo-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 42600667
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 72833382
(4R)-4-(3-trimethylsilylpropyl)oxan-2-one
CID 125510124

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one?
The IUPAC name of (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one (CID 15547025) is (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one.
What is the SMILES notation for (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one?
The canonical SMILES for (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one is CC[Si](CC)(CC)O[C@@H]1[C@H](C)[C@@H](C)OC(=O)[C@H]1C.
What is the InChIKey of (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one?
The InChIKey is RQYKCESZFJTYPX-YVECIDJPSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-18(8-2,9-3)17-13-10(4)12(6)16-14(15)11(13)5/h10-13H,7-9H2,1-6H3/t10-,11+,12-,13-/m1/s1.
What are the key properties of (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one?
(3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one has a molecular weight of 272.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-3,5,6-trimethyl-4-triethylsilyloxyoxan-2-one is sourced from PubChem (CID 15547025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).