Cas no 14129-48-7 (4-Octen-3-one)
4-Octen-3-one structure
Product Name:4-Octen-3-one
4-Octen-3-one Chemical and Physical Properties
Names and Identifiers
-
- 4-Octen-3-one
- Oct-4-en-3-one
- JPTOCTSNXXKSSN-UHFFFAOYSA-N
- 5Q55OU7FEN
- methylheptenon
- UNII-5Q55OU7FEN
- CHEBI:177003
- 14129-48-7
- DTXSID1065712
-
- Inchi： 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3
- InChI Key： JPTOCTSNXXKSSN-UHFFFAOYSA-N
- SMILES： O=C(C=CCCC)CC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 17.1
- XLogP3: 2.2
Experimental Properties
- Density: 0.833
- Boiling Point: 180.4°Cat760mmHg
- Flash Point: 67.1°C
- Refractive Index: 1.431
- PSA: 17.07
- FEMA: 4328 | 4-OCTEN-3-ONE
4-Octen-3-one Related Literature
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1. Photocycloadditions of 4-methoxy-2-pyridone to olefins and synthesis of 1,2-dihydrocyclobuta[c]pyridin-3(4H)-onesHarue Fujii,Kazuhiro Shiba,Chikara Kaneko J. Chem. Soc. Chem. Commun. 1980 537
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2. 4,8,8-Tribromobicyclo[5.1.0]oct-4-en-3-ones from dibromocarbene adducts of cyclohexa-1,4-dienolsA. K. Yagoub,George M. Iskander J. Chem. Soc. Perkin Trans. 1 1975 1043
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3. 1020. Reactions of cyclohexadienes. Part IV. Some transformations of bisdihalogenocarbene adductsA. J. Birch,J. M. Brown,F. Stansfield J. Chem. Soc. 1964 5343
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4. Index of subjects, 1975
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5. A novel synthesis of cyclobutane monoterpenes, (±)-grandisol and (±)-lineatinTetsuji Kametani,Tetsuya Toya,Koji Ueda,Masayoshi Tsubuki,Toshio Honda J. Chem. Soc. Perkin Trans. 1 1988 2433
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