(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione

C20H32O4 — CID 10308747

IUPAC(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione
SMILESO=C1/C=C/CCCCCCCCCC/C=C/C(=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/b13-11+,14-12+
InChIKeyPGAGHLFWSREONW-PHEQNACWSA-N
MW336.47 g/mol
LogP4.18
Rot. Bonds

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

(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione (PubChem CID 10308747) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione.

Molecular Properties

Compound Name(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione
PubChem CID10308747
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione
SMILESO=C1/C=C/CCCCCCCCCC/C=C/C(=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/b13-11+,14-12+
InChIKeyPGAGHLFWSREONW-PHEQNACWSA-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 (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
The IUPAC name of (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione (CID 10308747) is (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione.
What is the SMILES notation for (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
The canonical SMILES for (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione is O=C1/C=C/CCCCCCCCCC/C=C/C(=O)COCCOC1.
What is the InChIKey of (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
The InChIKey is PGAGHLFWSREONW-PHEQNACWSA-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/b13-11+,14-12+.
What are the key properties of (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione?
(7E,19E)-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 (7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione is sourced from PubChem (CID 10308747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).