1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione

C10H14O8 — CID 568388

IUPAC1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
SMILESO=C1COCC(=O)OCC(=O)OCCOCCO1
InChIInChI=1S/C10H14O8/c11-8-5-15-6-9(12)18-7-10(13)17-4-2-14-1-3-16-8/h1-7H2
InChIKeyDHUWIROMNMQGIC-UHFFFAOYSA-N
MW262.21 g/mol
LogP-1.34
Rot. Bonds

About 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione

1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione (PubChem CID 568388) has the molecular formula C10H14O8 and a molecular weight of 262.21 g/mol. Its IUPAC name is 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione.

Molecular Properties

Compound Name1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
PubChem CID568388
Molecular FormulaC10H14O8
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
SMILESO=C1COCC(=O)OCC(=O)OCCOCCO1
InChIInChI=1S/C10H14O8/c11-8-5-15-6-9(12)18-7-10(13)17-4-2-14-1-3-16-8/h1-7H2
InChIKeyDHUWIROMNMQGIC-UHFFFAOYSA-N
XLogP-1.34
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione 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 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione?
The IUPAC name of 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione (CID 568388) is 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione.
What is the SMILES notation for 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione?
The canonical SMILES for 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione is O=C1COCC(=O)OCC(=O)OCCOCCO1.
What is the InChIKey of 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione?
The InChIKey is DHUWIROMNMQGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O8/c11-8-5-15-6-9(12)18-7-10(13)17-4-2-14-1-3-16-8/h1-7H2.
What are the key properties of 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione?
1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione has a molecular weight of 262.21 g/mol, XLogP of -1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione is sourced from PubChem (CID 568388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).