1-oxacyclononadeca-10,12,14-triene-2,5-dione

C18H26O3 — CID 90766571

IUPAC1-oxacyclononadeca-10,12,14-triene-2,5-dione
SMILESO=C1CCCCC=CC=CC=CCCCCOC(=O)CC1
InChIInChI=1S/C18H26O3/c19-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-21-18(20)15-14-17/h1-6H,7-16H2
InChIKeyQRQWDWWOKXKGPM-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.29
Rot. Bonds

About 1-oxacyclononadeca-10,12,14-triene-2,5-dione

1-oxacyclononadeca-10,12,14-triene-2,5-dione (PubChem CID 90766571) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-oxacyclononadeca-10,12,14-triene-2,5-dione.

Molecular Properties

Compound Name1-oxacyclononadeca-10,12,14-triene-2,5-dione
PubChem CID90766571
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-oxacyclononadeca-10,12,14-triene-2,5-dione
SMILESO=C1CCCCC=CC=CC=CCCCCOC(=O)CC1
InChIInChI=1S/C18H26O3/c19-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-21-18(20)15-14-17/h1-6H,7-16H2
InChIKeyQRQWDWWOKXKGPM-UHFFFAOYSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxacyclononadeca-10,12,14-triene-2,5-dione?
The IUPAC name of 1-oxacyclononadeca-10,12,14-triene-2,5-dione (CID 90766571) is 1-oxacyclononadeca-10,12,14-triene-2,5-dione.
What is the SMILES notation for 1-oxacyclononadeca-10,12,14-triene-2,5-dione?
The canonical SMILES for 1-oxacyclononadeca-10,12,14-triene-2,5-dione is O=C1CCCCC=CC=CC=CCCCCOC(=O)CC1.
What is the InChIKey of 1-oxacyclononadeca-10,12,14-triene-2,5-dione?
The InChIKey is QRQWDWWOKXKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c19-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-21-18(20)15-14-17/h1-6H,7-16H2.
What are the key properties of 1-oxacyclononadeca-10,12,14-triene-2,5-dione?
1-oxacyclononadeca-10,12,14-triene-2,5-dione has a molecular weight of 290.40 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclononadeca-10,12,14-triene-2,5-dione is sourced from PubChem (CID 90766571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).