3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Basic information
- CAS
30038-60-9- Standard SMILES
CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1- InChIKey
RYHYPEPVPGAMJA-UHFFFAOYSA-N- Molecular formula
- C17H22O3
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.15689456
Names & identifiers
- Preferred name
- 3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
- IUPAC
- 3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Names & synonyms
30038-60-93,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dioneZINC135772MFCD002309241H-Xanthene-1,8(2H)-dione, 3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dioneAE-473/305160013,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dioneZINC00135772CBChromo1_000162Cambridge id 5312683MLS000569047
Show more names
CHEMBL1306175DTXSID20352457HMS1704H16HMS2509O06STK057093AKOS000671413CCG-244252SMR000176081
Database identifiers
- CAS
30038-60-9- PubChem CID
- 727017
- DTXSID
DTXSID20352457- ChEMBL
CHEMBL1306175- Nikkaji
- J1.034.098E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 523
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Related reactions
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Compound notes
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