Cas no 19479-15-3 ((4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione)
19479-15-3 structure
Product Name:(4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
CAS No:19479-15-3
MF:C15H22O3
MW:250.333384990692
CID:1387391
PubChem ID:29632
Update Time:2025-04-20
(4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione Chemical and Physical Properties
Names and Identifiers
-
- (4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
- (-)-(S)-Myoporone
- Myoporone
- (S)-1-(3-Furyl)-4,8-dimethyl-1,6-nonanedione
- DTXSID20173124
- Q27272367
- 9CU2GMF9T0
- Myoporon
- 1,6-Nonanedione, 1-(3-furanyl)-4,8-dimethyl-, (4S)-
- 19479-15-3
- 1,6-NONANEDIONE, 1-(3-FURANYL)-4,8-DIMETHYL-, (S)-
- MYOPORONE, (-)-
- MYOPORONE, (S)-
- UNII-9CU2GMF9T0
- (S)-1-(3-Furanyl)-4,8-dimethyl-1,6-nonanedione
-
- Inchi： 1S/C15H22O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m0/s1
- InChI Key： IUEKVLLAZUXWTL-LBPRGKRZSA-N
- SMILES： O=C(CC(C)C)C[C@@H](C)CCC(C1=COC=C1)=O
Computed Properties
- Exact Mass: 250.15696
- Monoisotopic Mass: 250.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 47.3?2
Experimental Properties
- PSA: 47.28
(4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
19479-15-3 ((4S)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione) Related Products
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