1,6-dioxacyclohexacosane-2,5-dione

C24H44O4 — CID 121270960

IUPAC1,6-dioxacyclohexacosane-2,5-dione
SMILESO=C1CCC(=O)OCCCCCCCCCCCCCCCCCCCCO1
InChIInChI=1S/C24H44O4/c25-23-19-20-24(26)28-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-27-23/h1-22H2
InChIKeyOEJHXTTWVWMUGM-UHFFFAOYSA-N
MW396.61 g/mol
LogP6.89
Rot. Bonds

About 1,6-dioxacyclohexacosane-2,5-dione

1,6-dioxacyclohexacosane-2,5-dione (PubChem CID 121270960) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is 1,6-dioxacyclohexacosane-2,5-dione.

Molecular Properties

Compound Name1,6-dioxacyclohexacosane-2,5-dione
PubChem CID121270960
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name1,6-dioxacyclohexacosane-2,5-dione
SMILESO=C1CCC(=O)OCCCCCCCCCCCCCCCCCCCCO1
InChIInChI=1S/C24H44O4/c25-23-19-20-24(26)28-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-27-23/h1-22H2
InChIKeyOEJHXTTWVWMUGM-UHFFFAOYSA-N
XLogP6.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxacyclohexacosane-2,5-dione?
The IUPAC name of 1,6-dioxacyclohexacosane-2,5-dione (CID 121270960) is 1,6-dioxacyclohexacosane-2,5-dione.
What is the SMILES notation for 1,6-dioxacyclohexacosane-2,5-dione?
The canonical SMILES for 1,6-dioxacyclohexacosane-2,5-dione is O=C1CCC(=O)OCCCCCCCCCCCCCCCCCCCCO1.
What is the InChIKey of 1,6-dioxacyclohexacosane-2,5-dione?
The InChIKey is OEJHXTTWVWMUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O4/c25-23-19-20-24(26)28-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-27-23/h1-22H2.
What are the key properties of 1,6-dioxacyclohexacosane-2,5-dione?
1,6-dioxacyclohexacosane-2,5-dione has a molecular weight of 396.61 g/mol, XLogP of 6.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxacyclohexacosane-2,5-dione is sourced from PubChem (CID 121270960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).