Basic information
- CAS
19479-15-3- Standard SMILES
CC(C)CC(=O)C[C@@H](C)CCC(=O)c1ccoc1- InChIKey
IUEKVLLAZUXWTL-LBPRGKRZSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- Myoporone
- IUPAC
- (4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
- English name
- (-)-(S)-Myoporone
- Molecular weight
- 0
Names & synonyms
Myoporone19479-15-3(4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione9CU2GMF9T01,6-NONANEDIONE, 1-(3-FURANYL)-4,8-DIMETHYL-, (S)-MYOPORONE, (S)-UNII-9CU2GMF9T0MYOPORONE, (-)-DTXSID201731241,6-Nonanedione, 1-(3-furanyl)-4,8-dimethyl-, (4S)-RefChem:160356DTXCID6095615
Show more names
(S)-1-(3-Furyl)-4,8-dimethyl-1,6-nonanedione
Myoporon(-)-(S)-Myoporone(S)-1-(3-Furanyl)-4,8-dimethyl-1,6-nonanedioneQ27272367
Database identifiers
- CAS
19479-15-3- PubChem CID
- 29632
- DTXSID
DTXSID20173124- UNII
- 9CU2GMF9T0
- Nikkaji
- J15.935B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- LogP
- 3.099 · 3.099 (est)
- FDA UNII
- 9 CU2GMF9T0 · 9CU2GMF9T0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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