Basic information
- CAS
57289-16-4- Standard SMILES
CC1(C)C(=O)CCC2CC(=O)CCC21C- InChIKey
DCXYTWFLOVRYLZ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-
- IUPAC
- 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione
Names & synonyms
2,6-Naphthalenedione, octahydro-1,1,8a-trimethyl-, cis-57289-16-4DTXSID90972803DCXYTWFLOVRYLZ-UHFFFAOYSA-N1,1,8a-Trimethyloctahydro-2,6-naphthalenedione1,1,8a-Trimethyloctahydronaphthalene-2,6-dione1,1,8a-Trimethyloctahydro-2,6-naphthalenedione #
Database identifiers
- CAS
57289-16-4- PubChem CID
- 42264
- DTXSID
DTXSID90972803
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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