Cas no 175655-42-2 (5-Hepten-2-one,5-ethyl-, (E)- (9CI))
175655-42-2 structure
Product Name:5-Hepten-2-one,5-ethyl-, (E)- (9CI)
CAS No:175655-42-2
MF:C9H16O
MW:140.222743034363
CID:112107
Update Time:2024-01-24
5-Hepten-2-one,5-ethyl-, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 5-Hepten-2-one,5-ethyl-, (E)- (9CI)
- 5-Hepten-2-one, 5-ethyl-, (E)- (9CI)
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- Inchi： 1S/C9H16O/c1-4-9(5-2)7-6-8(3)10/h4H,5-7H2,1-3H3/b9-4+
- InChI Key： YCXZIPISEIJTLL-RUDMXATFSA-N
- SMILES： CC(=O)CC/C(/CC)=C/C
Computed Properties
- Exact Mass: 140.12018
- Monoisotopic Mass: 140.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 134
- 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
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- PSA: 17.07
5-Hepten-2-one,5-ethyl-, (E)- (9CI) Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
175655-42-2 (5-Hepten-2-one,5-ethyl-, (E)- (9CI)) Related Products
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