[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate

C14H28O4Si — CID 10850924

IUPAC[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)OC1
InChIInChI=1S/C14H28O4Si/c1-11(15)18-13-8-7-12(16-9-13)10-17-19(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13-/m0/s1
InChIKeyYYKVUMKVSHOJQE-STQMWFEESA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds4

About [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate

[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate (PubChem CID 10850924) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate
PubChem CID10850924
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)OC1
InChIInChI=1S/C14H28O4Si/c1-11(15)18-13-8-7-12(16-9-13)10-17-19(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13-/m0/s1
InChIKeyYYKVUMKVSHOJQE-STQMWFEESA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
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 [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate?
The IUPAC name of [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate (CID 10850924) is [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate.
What is the SMILES notation for [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate?
The canonical SMILES for [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate is CC(=O)O[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)OC1.
What is the InChIKey of [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate?
The InChIKey is YYKVUMKVSHOJQE-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(15)18-13-8-7-12(16-9-13)10-17-19(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate?
[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate has a molecular weight of 288.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate is sourced from PubChem (CID 10850924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).