Cas no 22595-43-3 (4-Cyclohexene-1,3-dione,5-methoxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- (9CI))
22595-43-3 structure
Product Name:4-Cyclohexene-1,3-dione,5-methoxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- (9CI)
CAS No:22595-43-3
MF:C13H18O4
MW:238.279624462128
CID:267366
Update Time:2025-04-19
4-Cyclohexene-1,3-dione,5-methoxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 4-Cyclohexene-1,3-dione,5-methoxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- (9CI)
- 4-Cyclohexene-1,3-dione,2-isobutyryl-5-methoxy-6,6-dimethyl- (8CI)
- Agglomerone
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- Inchi： 1S/C13H18O4/c1-7(2)11(15)10-8(14)6-9(17-5)13(3,4)12(10)16/h6-7,10H,1-5H3
- InChI Key： NQBCCNHGJDEUDS-UHFFFAOYSA-N
- SMILES： COC1C(C)(C)C(=O)C(C(C(C)C)=O)C(=O)C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- XLogP3: 0.515
4-Cyclohexene-1,3-dione,5-methoxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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