(3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one

C6H8O3 — CID 130763966

IUPAC(3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one
SMILESC=C[C@@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C6H8O3/c1-2-4-3-5(7)6(8)9-4/h2,4-5,7H,1,3H2/t4-,5-/m1/s1
InChIKeyHUUCYSKXDBJPPC-RFZPGFLSSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds1

About (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one

(3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one (PubChem CID 130763966) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one
PubChem CID130763966
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one
SMILESC=C[C@@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C6H8O3/c1-2-4-3-5(7)6(8)9-4/h2,4-5,7H,1,3H2/t4-,5-/m1/s1
InChIKeyHUUCYSKXDBJPPC-RFZPGFLSSA-N
XLogP-0.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
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 (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one?
The IUPAC name of (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one (CID 130763966) is (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one?
The canonical SMILES for (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one is C=C[C@@H]1C[C@@H](O)C(=O)O1.
What is the InChIKey of (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one?
The InChIKey is HUUCYSKXDBJPPC-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-4-3-5(7)6(8)9-4/h2,4-5,7H,1,3H2/t4-,5-/m1/s1.
What are the key properties of (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one?
(3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-ethenyl-3-hydroxyoxolan-2-one is sourced from PubChem (CID 130763966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).