6-ethenyloxan-2-one

C7H10O2 — CID 12633586

IUPAC6-ethenyloxan-2-one
SMILESC=CC1CCCC(=O)O1
InChIInChI=1S/C7H10O2/c1-2-6-4-3-5-7(8)9-6/h2,6H,1,3-5H2
InChIKeyOMNMDLYYHJQRAI-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds1

About 6-ethenyloxan-2-one

6-ethenyloxan-2-one (PubChem CID 12633586) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 6-ethenyloxan-2-one.

Molecular Properties

Compound Name6-ethenyloxan-2-one
PubChem CID12633586
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name6-ethenyloxan-2-one
SMILESC=CC1CCCC(=O)O1
InChIInChI=1S/C7H10O2/c1-2-6-4-3-5-7(8)9-6/h2,6H,1,3-5H2
InChIKeyOMNMDLYYHJQRAI-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
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-2-one?
The IUPAC name of 6-ethenyloxan-2-one (CID 12633586) is 6-ethenyloxan-2-one.
What is the SMILES notation for 6-ethenyloxan-2-one?
The canonical SMILES for 6-ethenyloxan-2-one is C=CC1CCCC(=O)O1.
What is the InChIKey of 6-ethenyloxan-2-one?
The InChIKey is OMNMDLYYHJQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-6-4-3-5-7(8)9-6/h2,6H,1,3-5H2.
What are the key properties of 6-ethenyloxan-2-one?
6-ethenyloxan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyloxan-2-one is sourced from PubChem (CID 12633586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).