5-(1-hydroxyprop-2-enyl)oxolan-2-one

C7H10O3 — CID 67853652

IUPAC5-(1-hydroxyprop-2-enyl)oxolan-2-one
SMILESC=CC(O)C1CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h2,5-6,8H,1,3-4H2
InChIKeyAXMGOYPSJGHRKZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds2

About 5-(1-hydroxyprop-2-enyl)oxolan-2-one

5-(1-hydroxyprop-2-enyl)oxolan-2-one (PubChem CID 67853652) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-(1-hydroxyprop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-hydroxyprop-2-enyl)oxolan-2-one
PubChem CID67853652
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-(1-hydroxyprop-2-enyl)oxolan-2-one
SMILESC=CC(O)C1CCC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h2,5-6,8H,1,3-4H2
InChIKeyAXMGOYPSJGHRKZ-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
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-(1-hydroxyprop-2-enyl)oxolan-2-one?
The IUPAC name of 5-(1-hydroxyprop-2-enyl)oxolan-2-one (CID 67853652) is 5-(1-hydroxyprop-2-enyl)oxolan-2-one.
What is the SMILES notation for 5-(1-hydroxyprop-2-enyl)oxolan-2-one?
The canonical SMILES for 5-(1-hydroxyprop-2-enyl)oxolan-2-one is C=CC(O)C1CCC(=O)O1.
What is the InChIKey of 5-(1-hydroxyprop-2-enyl)oxolan-2-one?
The InChIKey is AXMGOYPSJGHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-5(8)6-3-4-7(9)10-6/h2,5-6,8H,1,3-4H2.
What are the key properties of 5-(1-hydroxyprop-2-enyl)oxolan-2-one?
5-(1-hydroxyprop-2-enyl)oxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyprop-2-enyl)oxolan-2-one is sourced from PubChem (CID 67853652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).