(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione

C20H32O4 — CID 10308748

IUPAC(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
SMILESO=C1/C=C/CCCCCC/C=C/C(=O)CCCOCCOCCC1
InChIInChI=1S/C20H32O4/c21-19-11-7-5-3-1-2-4-6-8-12-20(22)14-10-16-24-18-17-23-15-9-13-19/h7-8,11-12H,1-6,9-10,13-18H2/b11-7+,12-8+
InChIKeyJDWIFJTWBXGJSS-MKICQXMISA-N
MW336.47 g/mol
LogP4.18
Rot. Bonds

About (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione

(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione (PubChem CID 10308748) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione.

Molecular Properties

Compound Name(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
PubChem CID10308748
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
SMILESO=C1/C=C/CCCCCC/C=C/C(=O)CCCOCCOCCC1
InChIInChI=1S/C20H32O4/c21-19-11-7-5-3-1-2-4-6-8-12-20(22)14-10-16-24-18-17-23-15-9-13-19/h7-8,11-12H,1-6,9-10,13-18H2/b11-7+,12-8+
InChIKeyJDWIFJTWBXGJSS-MKICQXMISA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10193184
(9E,17E)-13-methyl-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10193612
(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 10308363
13-Methyl-1,4-dioxacyclodocosa-10,17-diene-8,19-dione
CID 90796572
1,4-Dioxacyclodocosa-10,17-diene-8,19-dione
CID 90846625
1,4-Dioxacycloicosa-10,15-diene-8,17-dione
CID 90880672
13-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 91051646
1,4-Dioxacyclononadeca-10,13-diene-8,16-dione
CID 91346795
[(5E,16E)-4-oxononadeca-5,16-dienyl] acetate
CID 117969829
(9E,17E)-13-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10310765
(9Z,14Z)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 23567718
(7Z,10Z,13Z,16Z,19Z,22Z)-1-[(E)-4-oxohept-5-enoxy]pentacosa-7,10,13,16,19,22-hexaen-4-one
CID 157311327

Frequently Asked Questions

What is the IUPAC name of (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
The IUPAC name of (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione (CID 10308748) is (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione.
What is the SMILES notation for (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
The canonical SMILES for (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione is O=C1/C=C/CCCCCC/C=C/C(=O)CCCOCCOCCC1.
What is the InChIKey of (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
The InChIKey is JDWIFJTWBXGJSS-MKICQXMISA-N. The full InChI is InChI=1S/C20H32O4/c21-19-11-7-5-3-1-2-4-6-8-12-20(22)14-10-16-24-18-17-23-15-9-13-19/h7-8,11-12H,1-6,9-10,13-18H2/b11-7+,12-8+.
What are the key properties of (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione?
(9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione has a molecular weight of 336.47 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,17E)-1,4-dioxacyclodocosa-9,17-diene-8,19-dione is sourced from PubChem (CID 10308748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).