Basic information
- CAS
31991-61-4- Standard SMILES
O=C1CCC(=O)C2C3CCCC3=C3CCCC3C12- InChIKey
IVXUAWWMMYTWPE-UHFFFAOYSA-N- Molecular formula
- C16H20O2
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.14632988
Names & identifiers
- Preferred name
- Benzo(e)-as-indacene-7,10-dione, 1,2,3,4,5,6,6a,6b,8,9,10a,10b-dodecahydro-
- IUPAC
- tetracyclo[10.4.0.02,6.07,11]hexadec-6-ene-13,16-dione
- English name
- 1,2,3,4,5,6,6a,6b,8,9,10a,10b-Dodecahydrobenz[e]-as-indacene-7,10-dione
- Molecular formula
- C16H20O2
- Molecular weight
- 244.33
Names & synonyms
31991-61-4Benzo(e)-as-indacene-7,10-dione, 1,2,3,4,5,6,6a,6b,8,9,10a,10b-dodecahydro-RefChem:3263271,2,3,4,5,6,6a,6b,8,9,10a,10b-Dodecahydrobenz[e]-as-indacene-7,10-dioneBenz[e]-as-indacene-7,10-dione, 1,2,3,4,5,6,6a,6b,8,9,10a,10b-dodecahydro-DTXSID00953880IVXUAWWMMYTWPE-UHFFFAOYSA-NDicyclopenta[a,c]-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,4-dione1,2,3,4,5,6,6a,6b,8,9,10a,10b-dodecahydrobenzo[e]-as-indacene-7,10-dione1,2,3,4,5,6,6a,6b,8,9,10a,10b-Dodecahydrobenzo[e]as-indacene-7,10-dione #
Database identifiers
- CAS
31991-61-4- PubChem CID
- 36031
- DTXSID
DTXSID00953880- Nikkaji
- J142.966C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…