1,4-dioxacyclodocosa-7,19-diene-6,21-dione

C20H32O4 — CID 91166360

IUPAC1,4-dioxacyclodocosa-7,19-diene-6,21-dione
SMILESO=C1C=CCCCCCCCCCCC=CC(=O)COCCOC1
InChIInChI=1S/C20H32O4/c21-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20(22)18-24-16-15-23-17-19/h11-14H,1-10,15-18H2
InChIKeyPGAGHLFWSREONW-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.18
Rot. Bonds

About 1,4-dioxacyclodocosa-7,19-diene-6,21-dione

1,4-dioxacyclodocosa-7,19-diene-6,21-dione (PubChem CID 91166360) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1,4-dioxacyclodocosa-7,19-diene-6,21-dione.

Molecular Properties

Compound Name1,4-dioxacyclodocosa-7,19-diene-6,21-dione
PubChem CID91166360
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name1,4-dioxacyclodocosa-7,19-diene-6,21-dione
SMILESO=C1C=CCCCCCCCCCCC=CC(=O)COCCOC1
InChIInChI=1S/C20H32O4/c21-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20(22)18-24-16-15-23-17-19/h11-14H,1-10,15-18H2
InChIKeyPGAGHLFWSREONW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
The IUPAC name of 1,4-dioxacyclodocosa-7,19-diene-6,21-dione (CID 91166360) is 1,4-dioxacyclodocosa-7,19-diene-6,21-dione.
What is the SMILES notation for 1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
The canonical SMILES for 1,4-dioxacyclodocosa-7,19-diene-6,21-dione is O=C1C=CCCCCCCCCCCC=CC(=O)COCCOC1.
What is the InChIKey of 1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
The InChIKey is PGAGHLFWSREONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c21-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20(22)18-24-16-15-23-17-19/h11-14H,1-10,15-18H2.
What are the key properties of 1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
1,4-dioxacyclodocosa-7,19-diene-6,21-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 1,4-dioxacyclodocosa-7,19-diene-6,21-dione is sourced from PubChem (CID 91166360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).