(5S)-5-propanoyloxolan-2-one

C7H10O3 — CID 10678344

IUPAC(5S)-5-propanoyloxolan-2-one
SMILESCCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyOWJAMDYMSWLBHC-LURJTMIESA-N
MW142.15 g/mol
LogP0.67
Rot. Bonds2

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

(5S)-5-propanoyloxolan-2-one (PubChem CID 10678344) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (5S)-5-propanoyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-propanoyloxolan-2-one
PubChem CID10678344
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(5S)-5-propanoyloxolan-2-one
SMILESCCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h6H,2-4H2,1H3/t6-/m0/s1
InChIKeyOWJAMDYMSWLBHC-LURJTMIESA-N
XLogP0.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-5-propanoyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-propanoyloxolan-2-one?
The IUPAC name of (5S)-5-propanoyloxolan-2-one (CID 10678344) is (5S)-5-propanoyloxolan-2-one.
What is the SMILES notation for (5S)-5-propanoyloxolan-2-one?
The canonical SMILES for (5S)-5-propanoyloxolan-2-one is CCC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-propanoyloxolan-2-one?
The InChIKey is OWJAMDYMSWLBHC-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-propanoyloxolan-2-one?
(5S)-5-propanoyloxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propanoyloxolan-2-one is sourced from PubChem (CID 10678344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).