(3R)-3-ethenyloxolan-2-one

C6H8O2 — CID 13205462

IUPAC(3R)-3-ethenyloxolan-2-one
SMILESC=C[C@H]1CCOC1=O
InChIInChI=1S/C6H8O2/c1-2-5-3-4-8-6(5)7/h2,5H,1,3-4H2/t5-/m0/s1
InChIKeyIOTNLSAKNNGZGC-YFKPBYRVSA-N
MW112.13 g/mol
LogP0.74
Rot. Bonds1

About (3R)-3-ethenyloxolan-2-one

(3R)-3-ethenyloxolan-2-one (PubChem CID 13205462) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (3R)-3-ethenyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-ethenyloxolan-2-one
PubChem CID13205462
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(3R)-3-ethenyloxolan-2-one
SMILESC=C[C@H]1CCOC1=O
InChIInChI=1S/C6H8O2/c1-2-5-3-4-8-6(5)7/h2,5H,1,3-4H2/t5-/m0/s1
InChIKeyIOTNLSAKNNGZGC-YFKPBYRVSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-ethenyloxolan-2-one?
The IUPAC name of (3R)-3-ethenyloxolan-2-one (CID 13205462) is (3R)-3-ethenyloxolan-2-one.
What is the SMILES notation for (3R)-3-ethenyloxolan-2-one?
The canonical SMILES for (3R)-3-ethenyloxolan-2-one is C=C[C@H]1CCOC1=O.
What is the InChIKey of (3R)-3-ethenyloxolan-2-one?
The InChIKey is IOTNLSAKNNGZGC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-5-3-4-8-6(5)7/h2,5H,1,3-4H2/t5-/m0/s1.
What are the key properties of (3R)-3-ethenyloxolan-2-one?
(3R)-3-ethenyloxolan-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyloxolan-2-one is sourced from PubChem (CID 13205462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).