(14Z)-1-oxacyclooctadec-14-ene-2,18-dione

C17H28O3 — CID 156873588

IUPAC(14Z)-1-oxacyclooctadec-14-ene-2,18-dione
SMILESO=C1CC/C=C\CCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H28O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20-16/h8,10H,1-7,9,11-15H2/b10-8-
InChIKeyOZOWMQFYROOXMR-NTMALXAHSA-N
MW280.41 g/mol
LogP4.70
Rot. Bonds

About (14Z)-1-oxacyclooctadec-14-ene-2,18-dione

(14Z)-1-oxacyclooctadec-14-ene-2,18-dione (PubChem CID 156873588) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (14Z)-1-oxacyclooctadec-14-ene-2,18-dione.

Molecular Properties

Compound Name(14Z)-1-oxacyclooctadec-14-ene-2,18-dione
PubChem CID156873588
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(14Z)-1-oxacyclooctadec-14-ene-2,18-dione
SMILESO=C1CC/C=C\CCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H28O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20-16/h8,10H,1-7,9,11-15H2/b10-8-
InChIKeyOZOWMQFYROOXMR-NTMALXAHSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (14Z)-1-oxacyclooctadec-14-ene-2,18-dione?
The IUPAC name of (14Z)-1-oxacyclooctadec-14-ene-2,18-dione (CID 156873588) is (14Z)-1-oxacyclooctadec-14-ene-2,18-dione.
What is the SMILES notation for (14Z)-1-oxacyclooctadec-14-ene-2,18-dione?
The canonical SMILES for (14Z)-1-oxacyclooctadec-14-ene-2,18-dione is O=C1CC/C=C\CCCCCCCCCCCC(=O)O1.
What is the InChIKey of (14Z)-1-oxacyclooctadec-14-ene-2,18-dione?
The InChIKey is OZOWMQFYROOXMR-NTMALXAHSA-N. The full InChI is InChI=1S/C17H28O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20-16/h8,10H,1-7,9,11-15H2/b10-8-.
What are the key properties of (14Z)-1-oxacyclooctadec-14-ene-2,18-dione?
(14Z)-1-oxacyclooctadec-14-ene-2,18-dione has a molecular weight of 280.41 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-1-oxacyclooctadec-14-ene-2,18-dione is sourced from PubChem (CID 156873588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).