[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate

C14H26O7Si — CID 169299223

IUPAC[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](COC(=O)OC)OC(=O)[C@@]1(C)O
InChIInChI=1S/C14H26O7Si/c1-6-22(7-2,8-3)21-11-10(9-19-13(16)18-5)20-12(15)14(11,4)17/h10-11,17H,6-9H2,1-5H3/t10-,11-,14+/m1/s1
InChIKeyFJVVLJFLKVZMOS-GYSYKLTISA-N
MW334.44 g/mol
LogP1.84
Rot. Bonds7

About [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate

[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate (PubChem CID 169299223) has the molecular formula C14H26O7Si and a molecular weight of 334.44 g/mol. Its IUPAC name is [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate
PubChem CID169299223
Molecular FormulaC14H26O7Si
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](COC(=O)OC)OC(=O)[C@@]1(C)O
InChIInChI=1S/C14H26O7Si/c1-6-22(7-2,8-3)21-11-10(9-19-13(16)18-5)20-12(15)14(11,4)17/h10-11,17H,6-9H2,1-5H3/t10-,11-,14+/m1/s1
InChIKeyFJVVLJFLKVZMOS-GYSYKLTISA-N
XLogP1.84
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate?
The IUPAC name of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate (CID 169299223) is [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate.
What is the SMILES notation for [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate?
The canonical SMILES for [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate is CC[Si](CC)(CC)O[C@@H]1[C@@H](COC(=O)OC)OC(=O)[C@@]1(C)O.
What is the InChIKey of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate?
The InChIKey is FJVVLJFLKVZMOS-GYSYKLTISA-N. The full InChI is InChI=1S/C14H26O7Si/c1-6-22(7-2,8-3)21-11-10(9-19-13(16)18-5)20-12(15)14(11,4)17/h10-11,17H,6-9H2,1-5H3/t10-,11-,14+/m1/s1.
What are the key properties of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate?
[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate has a molecular weight of 334.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-triethylsilyloxyoxolan-2-yl]methyl methyl carbonate is sourced from PubChem (CID 169299223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).