1,4-dioxacycloicosa-10,15-diene-8,17-dione

C18H28O4 — CID 90880672

IUPAC1,4-dioxacycloicosa-10,15-diene-8,17-dione
SMILESO=C1C=CCCCC=CCC(=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/h3,5-6,10H,1-2,4,7-9,11-16H2
InChIKeyVDJGLEFWNIGVAV-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.40
Rot. Bonds

About 1,4-dioxacycloicosa-10,15-diene-8,17-dione

1,4-dioxacycloicosa-10,15-diene-8,17-dione (PubChem CID 90880672) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,4-dioxacycloicosa-10,15-diene-8,17-dione.

Molecular Properties

Compound Name1,4-dioxacycloicosa-10,15-diene-8,17-dione
PubChem CID90880672
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name1,4-dioxacycloicosa-10,15-diene-8,17-dione
SMILESO=C1C=CCCCC=CCC(=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/h3,5-6,10H,1-2,4,7-9,11-16H2
InChIKeyVDJGLEFWNIGVAV-UHFFFAOYSA-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

Computed Properties (RDKit)

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

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Related Compounds

(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,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
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-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
(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 1,4-dioxacycloicosa-10,15-diene-8,17-dione?
The IUPAC name of 1,4-dioxacycloicosa-10,15-diene-8,17-dione (CID 90880672) is 1,4-dioxacycloicosa-10,15-diene-8,17-dione.
What is the SMILES notation for 1,4-dioxacycloicosa-10,15-diene-8,17-dione?
The canonical SMILES for 1,4-dioxacycloicosa-10,15-diene-8,17-dione is O=C1C=CCCCC=CCC(=O)CCCOCCOCCC1.
What is the InChIKey of 1,4-dioxacycloicosa-10,15-diene-8,17-dione?
The InChIKey is VDJGLEFWNIGVAV-UHFFFAOYSA-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/h3,5-6,10H,1-2,4,7-9,11-16H2.
What are the key properties of 1,4-dioxacycloicosa-10,15-diene-8,17-dione?
1,4-dioxacycloicosa-10,15-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 1,4-dioxacycloicosa-10,15-diene-8,17-dione is sourced from PubChem (CID 90880672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).