1,6-dioxacyclotetracos-3-ene-2,5-dione

C22H38O4 — CID 154091712

IUPAC1,6-dioxacyclotetracos-3-ene-2,5-dione
SMILESO=C1C=CC(=O)OCCCCCCCCCCCCCCCCCCO1
InChIInChI=1S/C22H38O4/c23-21-17-18-22(24)26-20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-21/h17-18H,1-16,19-20H2
InChIKeyWODYXDLHEKKHSF-UHFFFAOYSA-N
MW366.54 g/mol
LogP5.88
Rot. Bonds

About 1,6-dioxacyclotetracos-3-ene-2,5-dione

1,6-dioxacyclotetracos-3-ene-2,5-dione (PubChem CID 154091712) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 1,6-dioxacyclotetracos-3-ene-2,5-dione.

Molecular Properties

Compound Name1,6-dioxacyclotetracos-3-ene-2,5-dione
PubChem CID154091712
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name1,6-dioxacyclotetracos-3-ene-2,5-dione
SMILESO=C1C=CC(=O)OCCCCCCCCCCCCCCCCCCO1
InChIInChI=1S/C22H38O4/c23-21-17-18-22(24)26-20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-21/h17-18H,1-16,19-20H2
InChIKeyWODYXDLHEKKHSF-UHFFFAOYSA-N
XLogP5.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxacyclotetracos-3-ene-2,5-dione?
The IUPAC name of 1,6-dioxacyclotetracos-3-ene-2,5-dione (CID 154091712) is 1,6-dioxacyclotetracos-3-ene-2,5-dione.
What is the SMILES notation for 1,6-dioxacyclotetracos-3-ene-2,5-dione?
The canonical SMILES for 1,6-dioxacyclotetracos-3-ene-2,5-dione is O=C1C=CC(=O)OCCCCCCCCCCCCCCCCCCO1.
What is the InChIKey of 1,6-dioxacyclotetracos-3-ene-2,5-dione?
The InChIKey is WODYXDLHEKKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c23-21-17-18-22(24)26-20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-25-21/h17-18H,1-16,19-20H2.
What are the key properties of 1,6-dioxacyclotetracos-3-ene-2,5-dione?
1,6-dioxacyclotetracos-3-ene-2,5-dione has a molecular weight of 366.54 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxacyclotetracos-3-ene-2,5-dione is sourced from PubChem (CID 154091712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).