(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one

C13H26O4Si — CID 51002639

IUPAC(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one
SMILESCC[C@@H]1OC(=O)C[C@@](CCO)(O[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C13H26O4Si/c1-6-11-10(2)13(7-8-14,9-12(15)16-11)17-18(3,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11-,13+/m0/s1
InChIKeyWVOZVQBTNVJAMQ-GMXVVIOVSA-N
MW274.43 g/mol
LogP2.32
Rot. Bonds5

About (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one

(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one (PubChem CID 51002639) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one.

Molecular Properties

Compound Name(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one
PubChem CID51002639
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one
SMILESCC[C@@H]1OC(=O)C[C@@](CCO)(O[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C13H26O4Si/c1-6-11-10(2)13(7-8-14,9-12(15)16-11)17-18(3,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11-,13+/m0/s1
InChIKeyWVOZVQBTNVJAMQ-GMXVVIOVSA-N
XLogP2.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.32
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,5S,6S)-4-hydroxy-6-[(4S)-4-hydroxyhexyl]-5-methyloxan-2-one
CID 11424727
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
(2R,3S,4S)-4-[(2S,3S,5R)-3,5-dimethyl-6-oxooxan-2-yl]-3-hydroxy-2-methylpentanoic acid
CID 14414869
methyl 2-[(2R,3S,4S)-4-hydroxy-3-[(1S)-1-hydroxyethyl]oxan-2-yl]acetate
CID 102325630
Methyl (2rs,3rs,5s)-5-[t-butyl(dimethyl)-silyloxy]-2-hexyl-3-hydroxydecanoate
CID 129750031
Methyl (2rs,3rs,5s)-5-{[t-butyl(dimethyl)-silyl]oxy}-2-hexyl-3-hydroxyhexadecanoate
CID 129758874
(3R,4S,5S,6S)-6-[(2S,4R,5R,6R,7R)-4,6-dimethyl-3-oxo-7-triethylsilyloxy-5-trimethylsilyloxyoctan-2-yl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 132553530
(3S,4S,5R,6R)-4-hydroxy-6-(2-hydroxyethyl)-3,5-dimethyloxan-2-one
CID 134939338
(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one
CID 135012526
Ethyl 2-fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetate
CID 79366724
2-Fluoro-2-(4-hydroxy-2-propan-2-yloxan-4-yl)acetic acid
CID 79366794
Ethyl 2-fluoro-3-hydroxy-3-(oxan-3-yl)propanoate
CID 79366912

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one?
The IUPAC name of (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one (CID 51002639) is (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one.
What is the SMILES notation for (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one?
The canonical SMILES for (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one is CC[C@@H]1OC(=O)C[C@@](CCO)(O[Si](C)(C)C)[C@H]1C.
What is the InChIKey of (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one?
The InChIKey is WVOZVQBTNVJAMQ-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-11-10(2)13(7-8-14,9-12(15)16-11)17-18(3,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11-,13+/m0/s1.
What are the key properties of (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one?
(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one has a molecular weight of 274.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one is sourced from PubChem (CID 51002639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).