Cas no 122440-59-9 (2-Hepten-4-one,5-methyl-, (2E,5S)-)
122440-59-9 structure
Product Name:2-Hepten-4-one,5-methyl-, (2E,5S)-
CAS No:122440-59-9
MF:C8H14O
MW:126.196162700653
CID:199179
PubChem ID:7567850
Update Time:2025-04-19
2-Hepten-4-one,5-methyl-, (2E,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hepten-4-one,5-methyl-, (2E,5S)-
- (+)-Filbertone
- (S)-5-Methyl-(2E)-hepten-4-one
- (S)-Filbertone
- 2-Hepten-4-one,5-methyl-, [S-(E)]-
- Filbertone
- (e,s)-5-methylhept-2-en-4-one
- Z91CSH86RZ
- 5-Methyl-2-hepten-4-one, (S-2E)-
- 2-Hepten-4-one, 5-methyl-, (2E,5S)-
- (S)-5-methyl-2-hepten-4-one
- 2-Hepten-4-one, 5-methyl-, (S-(E))-
- 5-Methyl-2-hepten-4-one, (S)-
- UNII-Z91CSH86RZ
- 5-Methyl-2-hepten-4-one, (S-(E))-
- SCHEMBL5574716
- SCHEMBL5574712
- Filbertone-,(S)-
- Q27295161
- 122440-59-9
-
- Inchi： 1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+/t7-/m0/s1
- InChI Key： ARJWAURHQDJJAC-KNIZRNDPSA-N
- SMILES： O=C(/C=C/C)[C@@H](C)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: 3
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- 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
2-Hepten-4-one,5-methyl-, (2E,5S)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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