6-ethenyloxan-3-one

C7H10O2 — CID 163602265

IUPAC6-ethenyloxan-3-one
SMILESC=CC1CCC(=O)CO1
InChIInChI=1S/C7H10O2/c1-2-7-4-3-6(8)5-9-7/h2,7H,1,3-5H2
InChIKeyGYRCUSPVRXPUKG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.92
Rot. Bonds1

About 6-ethenyloxan-3-one

6-ethenyloxan-3-one (PubChem CID 163602265) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-ethenyloxan-3-one.

Molecular Properties

Compound Name6-ethenyloxan-3-one
PubChem CID163602265
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name6-ethenyloxan-3-one
SMILESC=CC1CCC(=O)CO1
InChIInChI=1S/C7H10O2/c1-2-7-4-3-6(8)5-9-7/h2,7H,1,3-5H2
InChIKeyGYRCUSPVRXPUKG-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.92
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 6-ethenyloxan-3-one?
The IUPAC name of 6-ethenyloxan-3-one (CID 163602265) is 6-ethenyloxan-3-one.
What is the SMILES notation for 6-ethenyloxan-3-one?
The canonical SMILES for 6-ethenyloxan-3-one is C=CC1CCC(=O)CO1.
What is the InChIKey of 6-ethenyloxan-3-one?
The InChIKey is GYRCUSPVRXPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7-4-3-6(8)5-9-7/h2,7H,1,3-5H2.
What are the key properties of 6-ethenyloxan-3-one?
6-ethenyloxan-3-one has a molecular weight of 126.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyloxan-3-one is sourced from PubChem (CID 163602265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).