Basic information
- CAS
52040-23-0- Standard SMILES
CC1(C)CC(C)(C)c2c1oc(=O)c1c3c(oc(=O)c21)C(C)(C)CC3(C)C- InChIKey
ANJNSKLJQLGTAJ-UHFFFAOYSA-N- Molecular formula
- C22H28O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.19875937
Names & identifiers
- Preferred name
- 3,3,5,5,11,11,13,13-Octamethyl-7,15-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),10(14)-triene-8,16-dione
- IUPAC
- 3,3,5,5,11,11,13,13-octamethyl-7,15-dioxatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),10(14)-triene-8,16-dione
Names & synonyms
NSC34623352040-23-0DTXSID70319494AKOS004902469NSC-3462331,1,3,3,6,6,8,8-Octamethyl-1,2,3,6,7,8-hexahydro-4H,9H-cyclopenta[b]cyclopenta[5,6]pyrano[3,4-d]pyran-4,9-dione
Database identifiers
- CAS
52040-23-0- PubChem CID
- 335659
- DTXSID
DTXSID70319494
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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