[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate

C8H10O5 — CID 12719906

IUPAC[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](OC(C)=O)O1
InChIInChI=1S/C8H10O5/c1-5(9)11-7-3-4-8(13-7)12-6(2)10/h3-4,7-8H,1-2H3/t7-,8+
InChIKeyFFLHFURRPPIZTQ-OCAPTIKFSA-N
MW186.16 g/mol
LogP0.35
Rot. Bonds2

About [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate

[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate (PubChem CID 12719906) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate.

Molecular Properties

Compound Name[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate
PubChem CID12719906
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](OC(C)=O)O1
InChIInChI=1S/C8H10O5/c1-5(9)11-7-3-4-8(13-7)12-6(2)10/h3-4,7-8H,1-2H3/t7-,8+
InChIKeyFFLHFURRPPIZTQ-OCAPTIKFSA-N
XLogP0.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate?
The IUPAC name of [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate (CID 12719906) is [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate.
What is the SMILES notation for [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate?
The canonical SMILES for [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](OC(C)=O)O1.
What is the InChIKey of [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate?
The InChIKey is FFLHFURRPPIZTQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(9)11-7-3-4-8(13-7)12-6(2)10/h3-4,7-8H,1-2H3/t7-,8+.
What are the key properties of [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate?
[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate has a molecular weight of 186.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate is sourced from PubChem (CID 12719906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).