Basic information
- CAS
38321-53-8- Standard SMILES
CCC1=C2C=CC(=O)CC2C2CC(=O)C=CC2=C1CC- InChIKey
VODWPPVPAPIXOA-UHFFFAOYSA-N- Molecular formula
- C18H20O2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.14632988
Names & identifiers
- Preferred name
- 9,10-Diethyl-4,4a,4b,5-tetrahydrophenanthrene-3,6-dione
- IUPAC
- 9,10-diethyl-4,4a,4b,5-tetrahydrophenanthrene-3,6-dione
Names & synonyms
9,10-diethyl-4,4a,4b,5-tetrahydrophenanthrene-3,6-dione38321-53-8DTXSID30290199RefChem:312538DTXCID50241345NSC67300NSC-67300
Database identifiers
- CAS
38321-53-8- PubChem CID
- 249237
- DTXSID
DTXSID30290199
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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