Cas no 918310-91-5 (2-Octanone, 5,8-dihydroxy-)
2-Octanone, 5,8-dihydroxy- structure
Product Name:2-Octanone, 5,8-dihydroxy-
CAS No:918310-91-5
MF:C8H16O3
MW:160.210843086243
CID:778091
PubChem ID:71427556
Update Time:2025-04-19
2-Octanone, 5,8-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanone, 5,8-dihydroxy-
- 5,8-dihydroxyoctan-2-one
- DTXSID70846295
- SCHEMBL4136558
- 918310-91-5
-
- Inchi： 1S/C8H16O3/c1-7(10)4-5-8(11)3-2-6-9/h8-9,11H,2-6H2,1H3
- InChI Key： NLMUUBWULHAEPU-UHFFFAOYSA-N
- SMILES： OC(CCC(C)=O)CCCO
Computed Properties
- Exact Mass: 160.109944368g/mol
- Monoisotopic Mass: 160.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 57.5?2
2-Octanone, 5,8-dihydroxy- Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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