(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione

C17H26O4 — CID 10308363

IUPAC(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
SMILESO=C1/C=C/CCC/C=C/C(=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/h4-5,8-9H,1-3,6-7,10-15H2/b8-4+,9-5+
InChIKeyZCUSHIVRACDIGI-KBXRYBNXSA-N
MW294.39 g/mol
LogP3.01
Rot. Bonds

About (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione

(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione (PubChem CID 10308363) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione.

Molecular Properties

Compound Name(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
PubChem CID10308363
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
SMILESO=C1/C=C/CCC/C=C/C(=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/h4-5,8-9H,1-3,6-7,10-15H2/b8-4+,9-5+
InChIKeyZCUSHIVRACDIGI-KBXRYBNXSA-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

Analyze (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-[2-[2-[2-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethoxy]ethoxy]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 2729489
(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 10171842
(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10193184
(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10308748
6-[2-(4-Oxohex-5-enoxy)ethoxy]hex-1-en-3-one
CID 23591517
1,4-Dioxacyclodocosa-10,17-diene-8,19-dione
CID 90846625
1,4-Dioxacycloicosa-10,15-diene-8,17-dione
CID 90880672
1,4-Dioxacyclononadeca-10,13-diene-8,16-dione
CID 91346795
6-[2-[1-(4-Oxohex-5-enoxy)propan-2-yloxy]ethoxy]hex-1-en-3-one
CID 148152139
6-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]hex-1-en-3-one
CID 156464947
(E)-7-methyl-1-(4-oxopentoxy)oct-5-en-4-one
CID 160329726
(E)-7-methoxyhept-2-en-4-one
CID 21720700

Frequently Asked Questions

What is the IUPAC name of (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
The IUPAC name of (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione (CID 10308363) is (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione.
What is the SMILES notation for (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
The canonical SMILES for (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione is O=C1/C=C/CCC/C=C/C(=O)CCCOCCOCCC1.
What is the InChIKey of (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
The InChIKey is ZCUSHIVRACDIGI-KBXRYBNXSA-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/h4-5,8-9H,1-3,6-7,10-15H2/b8-4+,9-5+.
What are the key properties of (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
(9E,14E)-1,4-dioxacyclononadeca-9,14-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 (9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione is sourced from PubChem (CID 10308363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).