Cas no 66569-57-1 (2-Octanone, 6-hydroxy-)
2-Octanone, 6-hydroxy- structure
Product Name:2-Octanone, 6-hydroxy-
CAS No:66569-57-1
MF:C8H16O2
MW:144.211442947388
CID:396144
PubChem ID:12222758
Update Time:2025-04-19
2-Octanone, 6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanone, 6-hydroxy-
- 6-hydroxyoctan-2-one
- SCHEMBL15737291
- DTXSID00481173
- 66569-57-1
-
- Inchi： 1S/C8H16O2/c1-3-8(10)6-4-5-7(2)9/h8,10H,3-6H2,1-2H3
- InChI Key： MNQCELSIBNJMDF-UHFFFAOYSA-N
- SMILES： OC(CC)CCCC(C)=O
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- 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: 0.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Octanone, 6-hydroxy- Related Literature
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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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
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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