5-propanoyloxolan-2-one

C7H10O3 — CID 12793942

IUPAC5-propanoyloxolan-2-one
SMILESCCC(=O)C1CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h6H,2-4H2,1H3
InChIKeyOWJAMDYMSWLBHC-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.67
Rot. Bonds2

About 5-propanoyloxolan-2-one

5-propanoyloxolan-2-one (PubChem CID 12793942) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-propanoyloxolan-2-one.

Molecular Properties

Compound Name5-propanoyloxolan-2-one
PubChem CID12793942
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-propanoyloxolan-2-one
SMILESCCC(=O)C1CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h6H,2-4H2,1H3
InChIKeyOWJAMDYMSWLBHC-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-propanoyloxolan-2-one?
The IUPAC name of 5-propanoyloxolan-2-one (CID 12793942) is 5-propanoyloxolan-2-one.
What is the SMILES notation for 5-propanoyloxolan-2-one?
The canonical SMILES for 5-propanoyloxolan-2-one is CCC(=O)C1CCC(=O)O1.
What is the InChIKey of 5-propanoyloxolan-2-one?
The InChIKey is OWJAMDYMSWLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h6H,2-4H2,1H3.
What are the key properties of 5-propanoyloxolan-2-one?
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 5-propanoyloxolan-2-one is sourced from PubChem (CID 12793942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).