11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione

C20H32O6 — CID 13127875

IUPAC11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione
SMILESO=C1CCCCC2(CCCC1)OOC1(CCCCC(=O)CCCC1)OO2
InChIInChI=1S/C20H32O6/c21-17-9-1-5-13-19(14-6-2-10-17)23-25-20(26-24-19)15-7-3-11-18(22)12-4-8-16-20/h1-16H2
InChIKeyHZDZXRKGXHJMQI-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.70
Rot. Bonds

About 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione

11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione (PubChem CID 13127875) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione.

Molecular Properties

Compound Name11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione
PubChem CID13127875
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione
SMILESO=C1CCCCC2(CCCC1)OOC1(CCCCC(=O)CCCC1)OO2
InChIInChI=1S/C20H32O6/c21-17-9-1-5-13-19(14-6-2-10-17)23-25-20(26-24-19)15-7-3-11-18(22)12-4-8-16-20/h1-16H2
InChIKeyHZDZXRKGXHJMQI-UHFFFAOYSA-N
XLogP4.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione?
The IUPAC name of 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione (CID 13127875) is 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione.
What is the SMILES notation for 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione?
The canonical SMILES for 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione is O=C1CCCCC2(CCCC1)OOC1(CCCCC(=O)CCCC1)OO2.
What is the InChIKey of 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione?
The InChIKey is HZDZXRKGXHJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c21-17-9-1-5-13-19(14-6-2-10-17)23-25-20(26-24-19)15-7-3-11-18(22)12-4-8-16-20/h1-16H2.
What are the key properties of 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione?
11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione has a molecular weight of 368.47 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione is sourced from PubChem (CID 13127875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).