tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione

C15H10O2 — CID 606622

IUPACtricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
SMILESO=C1C(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H10O2/c16-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15(14)17/h1-8H,9H2
InChIKeyDWRUFPXHVGCWQI-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.66
Rot. Bonds

About tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione (PubChem CID 606622) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione.

Molecular Properties

Compound Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
PubChem CID606622
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
SMILESO=C1C(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H10O2/c16-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15(14)17/h1-8H,9H2
InChIKeyDWRUFPXHVGCWQI-UHFFFAOYSA-N
XLogP2.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione?
The IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione (CID 606622) is tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione.
What is the SMILES notation for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione?
The canonical SMILES for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione is O=C1C(=O)c2ccccc2Cc2ccccc21.
What is the InChIKey of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione?
The InChIKey is DWRUFPXHVGCWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15(14)17/h1-8H,9H2.
What are the key properties of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione?
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione has a molecular weight of 222.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione is sourced from PubChem (CID 606622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).