[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate

C12H24O4Si — CID 169004458

IUPAC[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate
SMILESCC(=O)OC1OCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-9(13)15-11-10(7-8-14-11)16-17(5,6)12(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11?/m1/s1
InChIKeyFRDZXIUEWMQGQG-NFJWQWPMSA-N
MW260.41 g/mol
LogP2.69
Rot. Bonds3

About [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate

[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate (PubChem CID 169004458) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate
PubChem CID169004458
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate
SMILESCC(=O)OC1OCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O4Si/c1-9(13)15-11-10(7-8-14-11)16-17(5,6)12(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11?/m1/s1
InChIKeyFRDZXIUEWMQGQG-NFJWQWPMSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate?
The IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate (CID 169004458) is [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate.
What is the SMILES notation for [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate?
The canonical SMILES for [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate is CC(=O)OC1OCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate?
The InChIKey is FRDZXIUEWMQGQG-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-9(13)15-11-10(7-8-14-11)16-17(5,6)12(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11?/m1/s1.
What are the key properties of [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate?
[(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate has a molecular weight of 260.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl] acetate is sourced from PubChem (CID 169004458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).