5-hydroxy-3-prop-2-enyloxolan-2-one

C7H10O3 — CID 67860712

IUPAC5-hydroxy-3-prop-2-enyloxolan-2-one
SMILESC=CCC1CC(O)OC1=O
InChIInChI=1S/C7H10O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5-6,8H,1,3-4H2
InChIKeyLSRDACYQVGMPED-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.44
Rot. Bonds2

About 5-hydroxy-3-prop-2-enyloxolan-2-one

5-hydroxy-3-prop-2-enyloxolan-2-one (PubChem CID 67860712) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-hydroxy-3-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-prop-2-enyloxolan-2-one
PubChem CID67860712
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-hydroxy-3-prop-2-enyloxolan-2-one
SMILESC=CCC1CC(O)OC1=O
InChIInChI=1S/C7H10O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5-6,8H,1,3-4H2
InChIKeyLSRDACYQVGMPED-UHFFFAOYSA-N
XLogP0.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-prop-2-enyloxolan-2-one?
The IUPAC name of 5-hydroxy-3-prop-2-enyloxolan-2-one (CID 67860712) is 5-hydroxy-3-prop-2-enyloxolan-2-one.
What is the SMILES notation for 5-hydroxy-3-prop-2-enyloxolan-2-one?
The canonical SMILES for 5-hydroxy-3-prop-2-enyloxolan-2-one is C=CCC1CC(O)OC1=O.
What is the InChIKey of 5-hydroxy-3-prop-2-enyloxolan-2-one?
The InChIKey is LSRDACYQVGMPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5-6,8H,1,3-4H2.
What are the key properties of 5-hydroxy-3-prop-2-enyloxolan-2-one?
5-hydroxy-3-prop-2-enyloxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-prop-2-enyloxolan-2-one is sourced from PubChem (CID 67860712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).