2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione

C14H18O7 — CID 10756476

IUPAC2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione
SMILESO=C1C=CC(=O)C2=C1OCCOCCOCCOCCO2
InChIInChI=1S/C14H18O7/c15-11-1-2-12(16)14-13(11)20-9-7-18-5-3-17-4-6-19-8-10-21-14/h1-2H,3-10H2
InChIKeyUUNFPQPXNFTBGQ-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.00
Rot. Bonds

About 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione

2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione (PubChem CID 10756476) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione.

Molecular Properties

Compound Name2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione
PubChem CID10756476
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione
SMILESO=C1C=CC(=O)C2=C1OCCOCCOCCOCCO2
InChIInChI=1S/C14H18O7/c15-11-1-2-12(16)14-13(11)20-9-7-18-5-3-17-4-6-19-8-10-21-14/h1-2H,3-10H2
InChIKeyUUNFPQPXNFTBGQ-UHFFFAOYSA-N
XLogP0.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-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 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione?
The IUPAC name of 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione (CID 10756476) is 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione.
What is the SMILES notation for 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione?
The canonical SMILES for 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione is O=C1C=CC(=O)C2=C1OCCOCCOCCOCCO2.
What is the InChIKey of 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione?
The InChIKey is UUNFPQPXNFTBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c15-11-1-2-12(16)14-13(11)20-9-7-18-5-3-17-4-6-19-8-10-21-14/h1-2H,3-10H2.
What are the key properties of 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione?
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione has a molecular weight of 298.29 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),17-diene-16,19-dione is sourced from PubChem (CID 10756476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).