Cas no 69065-31-2 (4-Octen-3-one, (E)-)
4-Octen-3-one, (E)- structure
Product Name:4-Octen-3-one, (E)-
CAS No:69065-31-2
MF:C8H14O
MW:126.196162700653
CID:392295
PubChem ID:5369061
Update Time:2025-04-19
4-Octen-3-one, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octen-3-one, (E)-
- (E)-oct-4-en-3-one
- SCHEMBL160884
- Oct-4-en-3-one
- JPTOCTSNXXKSSN-VOTSOKGWSA-N
- Q27236683
- NS00122620
- 0EN4GO563N
- 69065-31-2
- 4-Octen-3-one, (4E)-
- trans-4-Octen-3-one
- (4E)-4-Octen-3-one
- SCHEMBL160882
- (4E)-4-Octen-3-one #
- CHEBI:172026
- UNII-0EN4GO563N
- 4-Octen-3-one
- FEMA No. 4328, E-
-
- Inchi： 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
- InChI Key： JPTOCTSNXXKSSN-VOTSOKGWSA-N
- SMILES： O=C(/C=C/CCC)CC
Computed Properties
- Exact Mass: 126.104465066g/mol
- Monoisotopic Mass: 126.104465066g/mol
- 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: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
4-Octen-3-one, (E)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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