tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione

C16H10O2 — CID 22066356

IUPACtricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione
SMILESO=c1ccc2ccccc2c2ccccc2c1=O
InChIInChI=1S/C16H10O2/c17-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(15)18/h1-10H/b10-9-
InChIKeyYHCPCNJITKLMSE-KTKRTIGZSA-N
MW234.25 g/mol
LogP2.71
Rot. Bonds

About tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione

tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione (PubChem CID 22066356) has the molecular formula C16H10O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione.

Molecular Properties

Compound Nametricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione
PubChem CID22066356
Molecular FormulaC16H10O2
Molecular Weight234.25 g/mol
Exact Mass234.07
IUPAC Nametricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione
SMILESO=c1ccc2ccccc2c2ccccc2c1=O
InChIInChI=1S/C16H10O2/c17-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(15)18/h1-10H/b10-9-
InChIKeyYHCPCNJITKLMSE-KTKRTIGZSA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione?
The IUPAC name of tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione (CID 22066356) is tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione.
What is the SMILES notation for tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione?
The canonical SMILES for tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione is O=c1ccc2ccccc2c2ccccc2c1=O.
What is the InChIKey of tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione?
The InChIKey is YHCPCNJITKLMSE-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H10O2/c17-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)16(15)18/h1-10H/b10-9-.
What are the key properties of tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione?
tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione has a molecular weight of 234.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene-8,9-dione is sourced from PubChem (CID 22066356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).