7,7-Dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-6,8-methanonaphtho[1,2-c]furan-1,3-dione
Basic information
- CAS
42507-76-6- Standard SMILES
CC1(C)C2CC3C(=CCC4C(=O)OC(=O)C43)C1C2- InChIKey
LVHGZICDOZPUTK-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Names & identifiers
- Preferred name
- 7,7-Dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-6,8-methanonaphtho[1,2-c]furan-1,3-dione
- IUPAC
- 13,13-dimethyl-7-oxatetracyclo[10.1.1.02,10.05,9]tetradec-2-ene-6,8-dione
Names & synonyms
42507-76-67,7-dimethyl-3a,4,6,7,8,9,9a,9b-octahydro-6,8-methanonaphtho[1,2-c]furan-1,3-dioneNSC146760DTXSID30301850NSC-146760
Database identifiers
- CAS
42507-76-6- PubChem CID
- 287205
- DTXSID
DTXSID30301850
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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