Cas no 167998-76-7 (1-(2,5-Diethylphenyl)butane-1,3-dione)
167998-76-7 structure
Product Name:1-(2,5-Diethylphenyl)butane-1,3-dione
CAS No:167998-76-7
MF:C14H18O2
MW:218.291524410248
CID:111047
Update Time:2023-08-02
1-(2,5-Diethylphenyl)butane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione,1-(2,5-diethylphenyl)-
- 1-(2,5-Diethylphenyl)-1,3-butanedione
- 1-(2,5-Diethylphenyl)butane-1,3-dione
-
- Inchi： 1S/C14H18O2/c1-4-11-6-7-12(5-2)13(9-11)14(16)8-10(3)15/h6-7,9H,4-5,8H2,1-3H3
- InChI Key： KXILLJNJVJDKFG-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)C1C=C(C=CC=1CC)CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 258
- Topological Polar Surface Area: 34.1
1-(2,5-Diethylphenyl)butane-1,3-dione Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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