1,4-dioxacyclononadeca-10,13-diene-8,16-dione

C17H26O4 — CID 91346795

IUPAC1,4-dioxacyclononadeca-10,13-diene-8,16-dione
SMILESO=C1CC=CCC=CCC(=O)CCCOCCOCCC1
InChIInChI=1S/C17H26O4/c18-16-8-4-2-1-3-5-9-17(19)11-7-13-21-15-14-20-12-6-10-16/h2-5H,1,6-15H2
InChIKeyDCXRQVGVECWDGP-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.01
Rot. Bonds

About 1,4-dioxacyclononadeca-10,13-diene-8,16-dione

1,4-dioxacyclononadeca-10,13-diene-8,16-dione (PubChem CID 91346795) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,4-dioxacyclononadeca-10,13-diene-8,16-dione.

Molecular Properties

Compound Name1,4-dioxacyclononadeca-10,13-diene-8,16-dione
PubChem CID91346795
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1,4-dioxacyclononadeca-10,13-diene-8,16-dione
SMILESO=C1CC=CCC=CCC(=O)CCCOCCOCCC1
InChIInChI=1S/C17H26O4/c18-16-8-4-2-1-3-5-9-17(19)11-7-13-21-15-14-20-12-6-10-16/h2-5H,1,6-15H2
InChIKeyDCXRQVGVECWDGP-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10193184
(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 10308363
(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10308748
1,4-Dioxacyclodocosa-10,17-diene-8,19-dione
CID 90846625
1,4-Dioxacycloicosa-10,15-diene-8,17-dione
CID 90880672
11-Methyl-1,4-dioxacyclononadeca-10,13-diene-8,16-dione
CID 91364995
5-Oct-6-enoxypentan-2-one
CID 176380927
5-Oct-6-enoxyhexan-2-one
CID 176380946
5-Oct-5-enoxypentan-2-one
CID 176380948
(9Z,14Z)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 23567718

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxacyclononadeca-10,13-diene-8,16-dione?
The IUPAC name of 1,4-dioxacyclononadeca-10,13-diene-8,16-dione (CID 91346795) is 1,4-dioxacyclononadeca-10,13-diene-8,16-dione.
What is the SMILES notation for 1,4-dioxacyclononadeca-10,13-diene-8,16-dione?
The canonical SMILES for 1,4-dioxacyclononadeca-10,13-diene-8,16-dione is O=C1CC=CCC=CCC(=O)CCCOCCOCCC1.
What is the InChIKey of 1,4-dioxacyclononadeca-10,13-diene-8,16-dione?
The InChIKey is DCXRQVGVECWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c18-16-8-4-2-1-3-5-9-17(19)11-7-13-21-15-14-20-12-6-10-16/h2-5H,1,6-15H2.
What are the key properties of 1,4-dioxacyclononadeca-10,13-diene-8,16-dione?
1,4-dioxacyclononadeca-10,13-diene-8,16-dione has a molecular weight of 294.39 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxacyclononadeca-10,13-diene-8,16-dione is sourced from PubChem (CID 91346795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).