3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Base Information

• Chemical Name: 3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
• CAS No.: 30038-60-9
• Molecular Formula: C₁₇H₂₂O₃
• Molecular Weight: 274.36
• DSSTox Substance ID: DTXSID20352457
• Nikkaji Number: J1.034.098E
• Wikidata: Q82129608
• ChEMBL ID: CHEMBL1306175
• Mol file: 30038-60-9.mol

Synonyms:3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione;30038-60-9;3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione;AE-473/30516001;3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione;CBChromo1_000162;Cambridge id 5312683;MLS000569047;CHEMBL1306175;DTXSID20352457;HMS1704H16;HMS2509O06;MFCD00230924;STK057093;AKOS000671413;CCG-244252;SMR000176081;AB00080162-01;Z56759899;1,2,3,4,5,6,7,8-octahydro-3,3,6,6-tetramethylxanthen-1,8-dione;3,4,6,7-tetrahydro-3,3,6,6-tetramethyl-2h-xanthene 1,8(5h,9h)-dione

Chemical Property of 3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Chemical Property:

• PSA: 43.37000
• LogP: 3.69310
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 274.15689456
• Heavy Atom Count: 20
• Complexity: 523

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC2=C(CC3=C(O2)CC(CC3=O)(C)C)C(=O)C1)C

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