[(3S)-5-oxooxolan-3-yl] acetate

C6H8O4 — CID 2734004

IUPAC[(3S)-5-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1COC(=O)C1
InChIInChI=1S/C6H8O4/c1-4(7)10-5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyQOAAHMCFVNHTBI-YFKPBYRVSA-N
MW144.13 g/mol
LogP-0.14
Rot. Bonds1

About [(3S)-5-oxooxolan-3-yl] acetate

[(3S)-5-oxooxolan-3-yl] acetate (PubChem CID 2734004) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is [(3S)-5-oxooxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-5-oxooxolan-3-yl] acetate
PubChem CID2734004
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name[(3S)-5-oxooxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1COC(=O)C1
InChIInChI=1S/C6H8O4/c1-4(7)10-5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyQOAAHMCFVNHTBI-YFKPBYRVSA-N
XLogP-0.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-oxooxolan-3-yl] acetate?
The IUPAC name of [(3S)-5-oxooxolan-3-yl] acetate (CID 2734004) is [(3S)-5-oxooxolan-3-yl] acetate.
What is the SMILES notation for [(3S)-5-oxooxolan-3-yl] acetate?
The canonical SMILES for [(3S)-5-oxooxolan-3-yl] acetate is CC(=O)O[C@@H]1COC(=O)C1.
What is the InChIKey of [(3S)-5-oxooxolan-3-yl] acetate?
The InChIKey is QOAAHMCFVNHTBI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(7)10-5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of [(3S)-5-oxooxolan-3-yl] acetate?
[(3S)-5-oxooxolan-3-yl] acetate has a molecular weight of 144.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-oxooxolan-3-yl] acetate is sourced from PubChem (CID 2734004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).