Cas no 71687-27-9 (4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]-)
![4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]- structure](https://ossimg.kuujia.com/scimg/72000/71687-27-9x500.png)
71687-27-9 structure
Product Name:4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]-
CAS No:71687-27-9
MF:C13H18O3
MW:222.280224323273
CID:545203
PubChem ID:12474520
Update Time:2025-04-19
4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]-
- (2-pent-4-enoylcyclohexen-1-yl) acetate
- DTXSID10499643
- 2-(Pent-4-enoyl)cyclohex-1-en-1-yl acetate
- 71687-27-9
-
- Inchi： 1S/C13H18O3/c1-3-4-8-12(15)11-7-5-6-9-13(11)16-10(2)14/h3H,1,4-9H2,2H3
- InChI Key： HKAHDVOPMIQEFO-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=C(C(CCC=C)=O)CCCC1
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
71687-27-9 (4-Penten-1-one, 1-[2-(acetyloxy)-1-cyclohexen-1-yl]-) Related Products
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