1,6-dioxacyclotridecane-7,13-dione

C11H18O4 — CID 70450916

IUPAC1,6-dioxacyclotridecane-7,13-dione
SMILESO=C1CCCCCC(=O)OCCCCO1
InChIInChI=1S/C11H18O4/c12-10-6-2-1-3-7-11(13)15-9-5-4-8-14-10/h1-9H2
InChIKeyMYGZACOEWRLGQM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.82
Rot. Bonds

About 1,6-dioxacyclotridecane-7,13-dione

1,6-dioxacyclotridecane-7,13-dione (PubChem CID 70450916) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1,6-dioxacyclotridecane-7,13-dione.

Molecular Properties

Compound Name1,6-dioxacyclotridecane-7,13-dione
PubChem CID70450916
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1,6-dioxacyclotridecane-7,13-dione
SMILESO=C1CCCCCC(=O)OCCCCO1
InChIInChI=1S/C11H18O4/c12-10-6-2-1-3-7-11(13)15-9-5-4-8-14-10/h1-9H2
InChIKeyMYGZACOEWRLGQM-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxacyclotridecane-7,13-dione?
The IUPAC name of 1,6-dioxacyclotridecane-7,13-dione (CID 70450916) is 1,6-dioxacyclotridecane-7,13-dione.
What is the SMILES notation for 1,6-dioxacyclotridecane-7,13-dione?
The canonical SMILES for 1,6-dioxacyclotridecane-7,13-dione is O=C1CCCCCC(=O)OCCCCO1.
What is the InChIKey of 1,6-dioxacyclotridecane-7,13-dione?
The InChIKey is MYGZACOEWRLGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-10-6-2-1-3-7-11(13)15-9-5-4-8-14-10/h1-9H2.
What are the key properties of 1,6-dioxacyclotridecane-7,13-dione?
1,6-dioxacyclotridecane-7,13-dione has a molecular weight of 214.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxacyclotridecane-7,13-dione is sourced from PubChem (CID 70450916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).