Cas no 60368-10-7 (7,16,18-Hentriacontanetrione)
7,16,18-Hentriacontanetrione structure
Product Name:7,16,18-Hentriacontanetrione
CAS No:60368-10-7
MF:C31H58O3
MW:478.790430545807
CID:497912
PubChem ID:71400893
Update Time:2025-04-19
7,16,18-Hentriacontanetrione Chemical and Physical Properties
Names and Identifiers
-
- 7,16,18-Hentriacontanetrione
- hentriacontane-7,16,18-trione
- 60368-10-7
- DTXSID70822135
-
- Inchi： 1S/C31H58O3/c1-3-5-7-9-10-11-12-13-14-18-22-26-30(33)28-31(34)27-23-19-16-15-17-21-25-29(32)24-20-8-6-4-2/h3-28H2,1-2H3
- InChI Key： DVVJOZPBJUIMJK-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCC(CC(CCCCCCCCC(CCCCCC)=O)=O)=O
Computed Properties
- Exact Mass: 478.43884
- Monoisotopic Mass: 478.43859571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 34
- Rotatable Bond Count: 28
- Complexity: 483
- 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: 11
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
7,16,18-Hentriacontanetrione Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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