4-propoxyoxolan-2-one

C7H12O3 — CID 143714534

IUPAC4-propoxyoxolan-2-one
SMILESCCCOC1COC(=O)C1
InChIInChI=1S/C7H12O3/c1-2-3-9-6-4-7(8)10-5-6/h6H,2-5H2,1H3
InChIKeyZLNQZNIDGGDLPP-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds3

About 4-propoxyoxolan-2-one

4-propoxyoxolan-2-one (PubChem CID 143714534) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-propoxyoxolan-2-one.

Molecular Properties

Compound Name4-propoxyoxolan-2-one
PubChem CID143714534
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-propoxyoxolan-2-one
SMILESCCCOC1COC(=O)C1
InChIInChI=1S/C7H12O3/c1-2-3-9-6-4-7(8)10-5-6/h6H,2-5H2,1H3
InChIKeyZLNQZNIDGGDLPP-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propoxyoxolan-2-one?
The IUPAC name of 4-propoxyoxolan-2-one (CID 143714534) is 4-propoxyoxolan-2-one.
What is the SMILES notation for 4-propoxyoxolan-2-one?
The canonical SMILES for 4-propoxyoxolan-2-one is CCCOC1COC(=O)C1.
What is the InChIKey of 4-propoxyoxolan-2-one?
The InChIKey is ZLNQZNIDGGDLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-3-9-6-4-7(8)10-5-6/h6H,2-5H2,1H3.
What are the key properties of 4-propoxyoxolan-2-one?
4-propoxyoxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyoxolan-2-one is sourced from PubChem (CID 143714534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).