[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate

C13H23FO4Si — CID 15403703

IUPAC[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate
SMILESCC(=O)OC1O[C@@H](CO[Si](C)(C)C(C)(C)C)C=C1F
InChIInChI=1S/C13H23FO4Si/c1-9(15)17-12-11(14)7-10(18-12)8-16-19(5,6)13(2,3)4/h7,10,12H,8H2,1-6H3/t10-,12?/m1/s1
InChIKeySHLYEYBTCIQUQX-RWANSRKNSA-N
MW290.41 g/mol
LogP3.15
Rot. Bonds4

About [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate

[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate (PubChem CID 15403703) has the molecular formula C13H23FO4Si and a molecular weight of 290.41 g/mol. Its IUPAC name is [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate
PubChem CID15403703
Molecular FormulaC13H23FO4Si
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate
SMILESCC(=O)OC1O[C@@H](CO[Si](C)(C)C(C)(C)C)C=C1F
InChIInChI=1S/C13H23FO4Si/c1-9(15)17-12-11(14)7-10(18-12)8-16-19(5,6)13(2,3)4/h7,10,12H,8H2,1-6H3/t10-,12?/m1/s1
InChIKeySHLYEYBTCIQUQX-RWANSRKNSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.15
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 [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate?
The IUPAC name of [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate (CID 15403703) is [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate.
What is the SMILES notation for [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate?
The canonical SMILES for [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate is CC(=O)OC1O[C@@H](CO[Si](C)(C)C(C)(C)C)C=C1F.
What is the InChIKey of [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate?
The InChIKey is SHLYEYBTCIQUQX-RWANSRKNSA-N. The full InChI is InChI=1S/C13H23FO4Si/c1-9(15)17-12-11(14)7-10(18-12)8-16-19(5,6)13(2,3)4/h7,10,12H,8H2,1-6H3/t10-,12?/m1/s1.
What are the key properties of [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate?
[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate has a molecular weight of 290.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2,5-dihydrofuran-2-yl] acetate is sourced from PubChem (CID 15403703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).