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

Analyze 1,6-dioxacyclohexacosane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dioctyl Adipate
CID 31271
Dicapryl Adipate
CID 7783
Dodecyl butyrate
CID 245572
1,6-Dinonyl hexanedioate
CID 9029
Dicapryl Succinate
CID 84475
Decyl octyl adipate
CID 8043
Diheptyl succinate
CID 85155
Arachidyl Propionate
CID 94615
Myristyl propionate
CID 22589
Hexadecyl propionate
CID 80355
Decyl Succinate
CID 21527431
1-Dodecyl butanedioate
CID 118486

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).