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

C17H32O7Si — CID 169299289

IUPAC[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate
SMILESCOC(=O)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O7Si/c1-10(2)25(11(3)4,12(5)6)24-14-13(9-22-16(19)21-8)23-15(18)17(14,7)20/h10-14,20H,9H2,1-8H3/t13-,14-,17+/m1/s1
InChIKeyMBFPQEIGFXJIAA-CPUCHLNUSA-N
MW376.52 g/mol
LogP3.01
Rot. Bonds7

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

[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate (PubChem CID 169299289) has the molecular formula C17H32O7Si and a molecular weight of 376.52 g/mol. Its IUPAC name is [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate
PubChem CID169299289
Molecular FormulaC17H32O7Si
Molecular Weight376.52 g/mol
Exact Mass376.19
IUPAC Name[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate
SMILESCOC(=O)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O7Si/c1-10(2)25(11(3)4,12(5)6)24-14-13(9-22-16(19)21-8)23-15(18)17(14,7)20/h10-14,20H,9H2,1-8H3/t13-,14-,17+/m1/s1
InChIKeyMBFPQEIGFXJIAA-CPUCHLNUSA-N
XLogP3.01
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.01
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-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate?
The IUPAC name of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate (CID 169299289) is [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate.
What is the SMILES notation for [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate?
The canonical SMILES for [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate is COC(=O)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate?
The InChIKey is MBFPQEIGFXJIAA-CPUCHLNUSA-N. The full InChI is InChI=1S/C17H32O7Si/c1-10(2)25(11(3)4,12(5)6)24-14-13(9-22-16(19)21-8)23-15(18)17(14,7)20/h10-14,20H,9H2,1-8H3/t13-,14-,17+/m1/s1.
What are the key properties of [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate?
[(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate has a molecular weight of 376.52 g/mol, XLogP of 3.01, 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-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl carbonate is sourced from PubChem (CID 169299289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).