[(2R)-5-oxo-2H-furan-2-yl] acetate

C6H6O4 — CID 10582881

IUPAC[(2R)-5-oxo-2H-furan-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c1-4(7)9-6-3-2-5(8)10-6/h2-3,6H,1H3/t6-/m1/s1
InChIKeyAQJQBZQCYVOVNX-ZCFIWIBFSA-N
MW142.11 g/mol
LogP-0.01
Rot. Bonds1

About [(2R)-5-oxo-2H-furan-2-yl] acetate

[(2R)-5-oxo-2H-furan-2-yl] acetate (PubChem CID 10582881) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is [(2R)-5-oxo-2H-furan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-5-oxo-2H-furan-2-yl] acetate
PubChem CID10582881
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name[(2R)-5-oxo-2H-furan-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O1
InChIInChI=1S/C6H6O4/c1-4(7)9-6-3-2-5(8)10-6/h2-3,6H,1H3/t6-/m1/s1
InChIKeyAQJQBZQCYVOVNX-ZCFIWIBFSA-N
XLogP-0.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-oxo-2H-furan-2-yl] acetate?
The IUPAC name of [(2R)-5-oxo-2H-furan-2-yl] acetate (CID 10582881) is [(2R)-5-oxo-2H-furan-2-yl] acetate.
What is the SMILES notation for [(2R)-5-oxo-2H-furan-2-yl] acetate?
The canonical SMILES for [(2R)-5-oxo-2H-furan-2-yl] acetate is CC(=O)O[C@H]1C=CC(=O)O1.
What is the InChIKey of [(2R)-5-oxo-2H-furan-2-yl] acetate?
The InChIKey is AQJQBZQCYVOVNX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H6O4/c1-4(7)9-6-3-2-5(8)10-6/h2-3,6H,1H3/t6-/m1/s1.
What are the key properties of [(2R)-5-oxo-2H-furan-2-yl] acetate?
[(2R)-5-oxo-2H-furan-2-yl] acetate has a molecular weight of 142.11 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-oxo-2H-furan-2-yl] acetate is sourced from PubChem (CID 10582881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).