7,7,17,17-Tetramethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),11,14(19)-pentaene-5,15-dione
Basic information
- CAS
76303-45-2- Standard SMILES
CC1(C)CC(=O)c2c(oc3cc4c5c(oc4cc23)CC(C)(C)CC5=O)C1- InChIKey
VJHVGRKGKVLKKX-UHFFFAOYSA-N- Molecular formula
- C22H22O4
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.15180918
Names & identifiers
- Preferred name
- 7,7,17,17-Tetramethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),11,14(19)-pentaene-5,15-dione
- IUPAC
- 7,7,17,17-tetramethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),11,14(19)-pentaene-5,15-dione
Names & synonyms
NSC34873376303-45-24,5-b']difuran-1,7-dioneDTXSID50319634NSC-3487333,3,9,9-Tetramethyl-2,3,4,8,9,10-hexahydro-dibenzo[d,d']benzo[1,2-b3,3,9,9-Tetramethyl-2,3,4,8,9,10-hexahydrodibenzo[d,d']benzo[1,2-b:4,5-b']difuran-1,7-dione
Database identifiers
- CAS
76303-45-2- PubChem CID
- 335969
- DTXSID
DTXSID50319634
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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