(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione

C18H28O4 — CID 10193184

IUPAC(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
SMILESO=C1/C=C/CCCC/C=C/C(=O)CCCOCCOCCC1
InChIInChI=1S/C18H28O4/c19-17-9-5-3-1-2-4-6-10-18(20)12-8-14-22-16-15-21-13-7-11-17/h5-6,9-10H,1-4,7-8,11-16H2/b9-5+,10-6+
InChIKeyYRVSBWBMGZVKCN-NXZHAISVSA-N
MW308.42 g/mol
LogP3.40
Rot. Bonds

About (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione

(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione (PubChem CID 10193184) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione.

Molecular Properties

Compound Name(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
PubChem CID10193184
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
SMILESO=C1/C=C/CCCC/C=C/C(=O)CCCOCCOCCC1
InChIInChI=1S/C18H28O4/c19-17-9-5-3-1-2-4-6-10-18(20)12-8-14-22-16-15-21-13-7-11-17/h5-6,9-10H,1-4,7-8,11-16H2/b9-5+,10-6+
InChIKeyYRVSBWBMGZVKCN-NXZHAISVSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione with MolForge

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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,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
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
11-Methyl-1,4-dioxacyclononadeca-10,13-diene-8,16-dione
CID 91364995
(9Z,14Z)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 23567704
(9Z,14Z)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 23567718
7-Ethoxyoct-2-en-4-one
CID 59700339

Frequently Asked Questions

What is the IUPAC name of (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
The IUPAC name of (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione (CID 10193184) is (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione.
What is the SMILES notation for (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
The canonical SMILES for (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione is O=C1/C=C/CCCC/C=C/C(=O)CCCOCCOCCC1.
What is the InChIKey of (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
The InChIKey is YRVSBWBMGZVKCN-NXZHAISVSA-N. The full InChI is InChI=1S/C18H28O4/c19-17-9-5-3-1-2-4-6-10-18(20)12-8-14-22-16-15-21-13-7-11-17/h5-6,9-10H,1-4,7-8,11-16H2/b9-5+,10-6+.
What are the key properties of (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione?
(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione has a molecular weight of 308.42 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione is sourced from PubChem (CID 10193184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).