Cas no 19597-55-8 (5,7-Octadien-4-one,2-methyl-8-phenyl-)
19597-55-8 structure
Product Name:5,7-Octadien-4-one,2-methyl-8-phenyl-
CAS No:19597-55-8
MF:C15H18O
MW:214.302824497223
CID:234881
PubChem ID:6307126
Update Time:2025-04-19
5,7-Octadien-4-one,2-methyl-8-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 5,7-Octadien-4-one,2-methyl-8-phenyl-
- (5E,7E)-2-methyl-8-phenylocta-5,7-dien-4-one
- 2-methyl-8-phenyl-5-thioxo-2,3,5,6-tetrahydro-oxazolo[3,2-c]pyrimidin-7-one
- 2-methyl-8-phenyl-octa-5,7-dien-4-one
- AC1NO5GP
- NSC281007
- SCHEMBL20972761
- 19597-55-8
- NSC-194324
- NSC194324
-
- Inchi： 1S/C15H18O/c1-13(2)12-15(16)11-7-6-10-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/b10-6+,11-7+
- InChI Key： HBUVXYWESGKFMI-JMQWPVDRSA-N
- SMILES： O=C(/C=C/C=C/C1C=CC=CC=1)CC(C)C
Computed Properties
- Exact Mass: 214.13584
- Monoisotopic Mass: 214.135765
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- Topological Polar Surface Area: 17.1
- XLogP3: 3.9
Experimental Properties
- Density: 0.971
- Boiling Point: 353.1°Cat760mmHg
- Flash Point: 133.5°C
- Refractive Index: 1.547
- PSA: 17.07
- LogP: 3.87120
5,7-Octadien-4-one,2-methyl-8-phenyl- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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