(4S)-4-acetyloxolan-2-one

C6H8O3 — CID 54075374

IUPAC(4S)-4-acetyloxolan-2-one
SMILESCC(=O)[C@@H]1COC(=O)C1
InChIInChI=1S/C6H8O3/c1-4(7)5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyMJHVRJCMYGXHKK-YFKPBYRVSA-N
MW128.13 g/mol
LogP0.14
Rot. Bonds1

About (4S)-4-acetyloxolan-2-one

(4S)-4-acetyloxolan-2-one (PubChem CID 54075374) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (4S)-4-acetyloxolan-2-one.

Molecular Properties

Compound Name(4S)-4-acetyloxolan-2-one
PubChem CID54075374
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(4S)-4-acetyloxolan-2-one
SMILESCC(=O)[C@@H]1COC(=O)C1
InChIInChI=1S/C6H8O3/c1-4(7)5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyMJHVRJCMYGXHKK-YFKPBYRVSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-[(3R)-5-oxooxolan-3-yl]ethyl] acetate
CID 131860875
(4S)-4-methyloxolan-2-one
CID 11115993
(4R)-4-methyloxolan-2-one
CID 5325910
lithium;4-benzoyloxolan-2-one;di(propan-2-yl)azanide
CID 159764028
1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone
CID 165460900
4-(5-oxooxolan-3-yl)oxolan-2-one
CID 89449763
4-(2,3-dimethylbut-2-enyl)oxolan-2-one
CID 544000
4-(1-hydroxyethyl)oxolan-2-one
CID 12664706
2-oxooxane-4-carboxylic acid
CID 69173486
4-(methylamino)oxolan-2-one
CID 22270042
4-acetyl-6-methylidenepiperidin-2-one
CID 89357523
4-(1-hydroxy-2-methylpropyl)oxolan-2-one
CID 74342868

Frequently Asked Questions

What is the IUPAC name of (4S)-4-acetyloxolan-2-one?
The IUPAC name of (4S)-4-acetyloxolan-2-one (CID 54075374) is (4S)-4-acetyloxolan-2-one.
What is the SMILES notation for (4S)-4-acetyloxolan-2-one?
The canonical SMILES for (4S)-4-acetyloxolan-2-one is CC(=O)[C@@H]1COC(=O)C1.
What is the InChIKey of (4S)-4-acetyloxolan-2-one?
The InChIKey is MJHVRJCMYGXHKK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O3/c1-4(7)5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (4S)-4-acetyloxolan-2-one?
(4S)-4-acetyloxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-acetyloxolan-2-one is sourced from PubChem (CID 54075374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).