[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate

C24H34O6Si2 — CID 67190343

IUPAC[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
SMILESC[Si](C)(C)O[C@H](COC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C24H34O6Si2/c1-31(2,3)29-21(17-27-23(25)19-13-9-7-10-14-19)22(30-32(4,5)6)18-28-24(26)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3/t21-,22-/m1/s1
InChIKeyWCYIJNYPGAFRAM-FGZHOGPDSA-N
MW474.70 g/mol
LogP5.14
Rot. Bonds11

About [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate

[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate (PubChem CID 67190343) has the molecular formula C24H34O6Si2 and a molecular weight of 474.70 g/mol. Its IUPAC name is [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate.

Molecular Properties

Compound Name[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
PubChem CID67190343
Molecular FormulaC24H34O6Si2
Molecular Weight474.70 g/mol
Exact Mass474.19
IUPAC Name[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate
SMILESC[Si](C)(C)O[C@H](COC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C24H34O6Si2/c1-31(2,3)29-21(17-27-23(25)19-13-9-7-10-14-19)22(30-32(4,5)6)18-28-24(26)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3/t21-,22-/m1/s1
InChIKeyWCYIJNYPGAFRAM-FGZHOGPDSA-N
XLogP5.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
[(2S,3R)-2,3-dibenzoyloxy-5-hydroxypentyl] benzoate
CID 71606155
(3S,4S)-4-hydroxy-6-oxo-3-[(1S)-2-(4-phenylbenzoyl)oxy-1-trimethylsilyloxyethyl]hexanoic acid
CID 22797231
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2R)-2-phenylpropyl] benzoate
CID 101021839
[(2S,3R)-2,3,6-tribenzoyloxy-5-oxohexyl] benzoate
CID 139094575
[(2R,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 14018806
[(2S,3R,4S,5R)-6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl] benzoate
CID 24838313
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
[(2R,3R)-2,5-diacetyloxy-3-benzoyloxy-5-methoxypentyl] benzoate
CID 139024478

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate?
The IUPAC name of [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate (CID 67190343) is [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate.
What is the SMILES notation for [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate?
The canonical SMILES for [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate is C[Si](C)(C)O[C@H](COC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate?
The InChIKey is WCYIJNYPGAFRAM-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H34O6Si2/c1-31(2,3)29-21(17-27-23(25)19-13-9-7-10-14-19)22(30-32(4,5)6)18-28-24(26)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate?
[(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate has a molecular weight of 474.70 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-benzoyloxy-2,3-bis(trimethylsilyloxy)butyl] benzoate is sourced from PubChem (CID 67190343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).