11-ethenyl-oxacycloundecan-2-one

C12H20O2 — CID 12825591

IUPAC11-ethenyl-oxacycloundecan-2-one
SMILESC=CC1CCCCCCCCC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-11-9-7-5-3-4-6-8-10-12(13)14-11/h2,11H,1,3-10H2
InChIKeyDIJIQKFEUMSGML-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds1

About 11-ethenyl-oxacycloundecan-2-one

11-ethenyl-oxacycloundecan-2-one (PubChem CID 12825591) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 11-ethenyl-oxacycloundecan-2-one.

Molecular Properties

Compound Name11-ethenyl-oxacycloundecan-2-one
PubChem CID12825591
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name11-ethenyl-oxacycloundecan-2-one
SMILESC=CC1CCCCCCCCC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-11-9-7-5-3-4-6-8-10-12(13)14-11/h2,11H,1,3-10H2
InChIKeyDIJIQKFEUMSGML-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
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 11-ethenyl-oxacycloundecan-2-one?
The IUPAC name of 11-ethenyl-oxacycloundecan-2-one (CID 12825591) is 11-ethenyl-oxacycloundecan-2-one.
What is the SMILES notation for 11-ethenyl-oxacycloundecan-2-one?
The canonical SMILES for 11-ethenyl-oxacycloundecan-2-one is C=CC1CCCCCCCCC(=O)O1.
What is the InChIKey of 11-ethenyl-oxacycloundecan-2-one?
The InChIKey is DIJIQKFEUMSGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-11-9-7-5-3-4-6-8-10-12(13)14-11/h2,11H,1,3-10H2.
What are the key properties of 11-ethenyl-oxacycloundecan-2-one?
11-ethenyl-oxacycloundecan-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenyl-oxacycloundecan-2-one is sourced from PubChem (CID 12825591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).