(5S)-5-acetyloxolan-2-one

C6H8O3 — CID 6931886

IUPAC(5S)-5-acetyloxolan-2-one
SMILESCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyAHLDCEZSQNGEFT-YFKPBYRVSA-N
MW128.13 g/mol
LogP0.28
Rot. Bonds1

About (5S)-5-acetyloxolan-2-one

(5S)-5-acetyloxolan-2-one (PubChem CID 6931886) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (5S)-5-acetyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-acetyloxolan-2-one
PubChem CID6931886
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(5S)-5-acetyloxolan-2-one
SMILESCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyAHLDCEZSQNGEFT-YFKPBYRVSA-N
XLogP0.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetyloxolan-2-one?
The IUPAC name of (5S)-5-acetyloxolan-2-one (CID 6931886) is (5S)-5-acetyloxolan-2-one.
What is the SMILES notation for (5S)-5-acetyloxolan-2-one?
The canonical SMILES for (5S)-5-acetyloxolan-2-one is CC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-acetyloxolan-2-one?
The InChIKey is AHLDCEZSQNGEFT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-acetyloxolan-2-one?
(5S)-5-acetyloxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetyloxolan-2-one is sourced from PubChem (CID 6931886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).