Cas no 1126651-95-3 (Methyl 2,5,5-trimethyl-2-phenylhexanoate)
1126651-95-3 structure
Product Name:Methyl 2,5,5-trimethyl-2-phenylhexanoate
CAS No:1126651-95-3
MF:C16H24O2
MW:248.360565185547
CID:2131414
Update Time:2023-08-04
Methyl 2,5,5-trimethyl-2-phenylhexanoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,5,5-trimethyl-2-phenylhexanoate
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- Inchi： 1S/C16H24O2/c1-15(2,3)11-12-16(4,14(17)18-5)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
- InChI Key： NZMPOUTWGMTBBA-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C1C=CC=CC=1)CCC(C)(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 271
- Topological Polar Surface Area: 26.3
Methyl 2,5,5-trimethyl-2-phenylhexanoate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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