tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione

C14H12O2 — CID 14893582

IUPACtetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
SMILESO=C1C(=O)C2C=CC1C1C3C=CC(C=C3)C21
InChIInChI=1S/C14H12O2/c15-13-9-5-6-10(14(13)16)12-8-2-1-7(3-4-8)11(9)12/h1-12H
InChIKeyHTTOMZNEEDPJSC-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.54
Rot. Bonds

About tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione

tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione (PubChem CID 14893582) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione.

Molecular Properties

Compound Nametetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
PubChem CID14893582
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Nametetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
SMILESO=C1C(=O)C2C=CC1C1C3C=CC(C=C3)C21
InChIInChI=1S/C14H12O2/c15-13-9-5-6-10(14(13)16)12-8-2-1-7(3-4-8)11(9)12/h1-12H
InChIKeyHTTOMZNEEDPJSC-UHFFFAOYSA-N
XLogP1.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione?
The IUPAC name of tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione (CID 14893582) is tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione.
What is the SMILES notation for tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione?
The canonical SMILES for tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione is O=C1C(=O)C2C=CC1C1C3C=CC(C=C3)C21.
What is the InChIKey of tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione?
The InChIKey is HTTOMZNEEDPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13-9-5-6-10(14(13)16)12-8-2-1-7(3-4-8)11(9)12/h1-12H.
What are the key properties of tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione?
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione has a molecular weight of 212.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione is sourced from PubChem (CID 14893582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).