5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione

C14H8O3 — CID 71358715

IUPAC5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
SMILESO=c1oc(=O)c2cc3ccccccc3cc12
InChIInChI=1S/C14H8O3/c15-13-11-7-9-5-3-1-2-4-6-10(9)8-12(11)14(16)17-13/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-
InChIKeyVLEVFSQSNBCSEB-CKSLBRPTSA-N
MW224.22 g/mol
LogP2.31
Rot. Bonds

About 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione

5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione (PubChem CID 71358715) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione.

Molecular Properties

Compound Name5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
PubChem CID71358715
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
SMILESO=c1oc(=O)c2cc3ccccccc3cc12
InChIInChI=1S/C14H8O3/c15-13-11-7-9-5-3-1-2-4-6-10(9)8-12(11)14(16)17-13/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-
InChIKeyVLEVFSQSNBCSEB-CKSLBRPTSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione?
The IUPAC name of 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione (CID 71358715) is 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione.
What is the SMILES notation for 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione?
The canonical SMILES for 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione is O=c1oc(=O)c2cc3ccccccc3cc12.
What is the InChIKey of 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione?
The InChIKey is VLEVFSQSNBCSEB-CKSLBRPTSA-N. The full InChI is InChI=1S/C14H8O3/c15-13-11-7-9-5-3-1-2-4-6-10(9)8-12(11)14(16)17-13/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-.
What are the key properties of 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione?
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione has a molecular weight of 224.22 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione is sourced from PubChem (CID 71358715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).