[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate

C20H42O5Si2 — CID 71762480

IUPAC[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O5Si2/c1-15(21)23-18-14-17(25-27(10,11)20(5,6)7)16(24-18)12-13-22-26(8,9)19(2,3)4/h16-18H,12-14H2,1-11H3/t16-,17+,18?/m1/s1
InChIKeyUOOLRGFSPLJIBY-DVKDBIPTSA-N
MW418.72 g/mol
LogP5.47
Rot. Bonds7

About [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate

[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate (PubChem CID 71762480) has the molecular formula C20H42O5Si2 and a molecular weight of 418.72 g/mol. Its IUPAC name is [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate
PubChem CID71762480
Molecular FormulaC20H42O5Si2
Molecular Weight418.72 g/mol
Exact Mass418.26
IUPAC Name[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O5Si2/c1-15(21)23-18-14-17(25-27(10,11)20(5,6)7)16(24-18)12-13-22-26(8,9)19(2,3)4/h16-18H,12-14H2,1-11H3/t16-,17+,18?/m1/s1
InChIKeyUOOLRGFSPLJIBY-DVKDBIPTSA-N
XLogP5.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.72
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate?
The IUPAC name of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate (CID 71762480) is [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate.
What is the SMILES notation for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate?
The canonical SMILES for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate is CC(=O)OC1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate?
The InChIKey is UOOLRGFSPLJIBY-DVKDBIPTSA-N. The full InChI is InChI=1S/C20H42O5Si2/c1-15(21)23-18-14-17(25-27(10,11)20(5,6)7)16(24-18)12-13-22-26(8,9)19(2,3)4/h16-18H,12-14H2,1-11H3/t16-,17+,18?/m1/s1.
What are the key properties of [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate?
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate has a molecular weight of 418.72 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl] acetate is sourced from PubChem (CID 71762480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).