Cyclotetradecane-1,2-dione

Details

• Internal ID: 31ee46a9-9bb0-42db-831c-ab77ac33e67e
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones
• IUPAC Name: cyclotetradecane-1,2-dione
• SMILES (Canonical): C1CCCCCCC(=O)C(=O)CCCCC1
• SMILES (Isomeric): C1CCCCCCC(=O)C(=O)CCCCC1
• InChI: InChI=1S/C14H24O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(13)16/h1-12H2
• InChI Key: MXTFEOYSFWGYJD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34 g/mol
• Exact Mass: 224.177630004 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 4.30

Synonyms

• 1,2-cyclotetradecanedione
• cyclotetradecane-1,2-quinone
• 23427-68-1
• SCHEMBL7178525
• DTXSID00561520

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.21%	95.56%
CHEMBL2581	P07339	Cathepsin D	87.01%	98.95%

Plants that contains it

• Thymus vulgaris

Cross-Links

• PubChem: 14547747
• LOTUS: LTS0203384
• wikiData: Q82445366