Cas no 65651-62-9 (2-Octanone, 4-hydroxy-, (4R)-)
2-Octanone, 4-hydroxy-, (4R)- structure
Product Name:2-Octanone, 4-hydroxy-, (4R)-
CAS No:65651-62-9
MF:C8H16O2
MW:144.211442947388
CID:397743
PubChem ID:11137288
Update Time:2025-04-19
2-Octanone, 4-hydroxy-, (4R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanone, 4-hydroxy-, (4R)-
- CTK1J6133
- DTXSID10456478
- SCHEMBL20530457
- 65651-62-9
-
- Inchi： 1S/C8H16O2/c1-3-4-5-8(10)6-7(2)9/h8,10H,3-6H2,1-2H3/t8-/m1/s1
- InChI Key： DGJGBYDRZGFUPX-MRVPVSSYSA-N
- SMILES： O[C@@H](CC(C)=O)CCCC
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: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Octanone, 4-hydroxy-, (4R)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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