Cas no 52279-26-2 (2-hydroxyoctan-3-one)
2-hydroxyoctan-3-one structure
Product Name:2-hydroxyoctan-3-one
CAS No:52279-26-2
MF:C8H16O2
MW:144.211442947388
CID:1576681
PubChem ID:13129593
Update Time:2025-04-21
2-hydroxyoctan-3-one Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxyoctan-3-one
- 3-octanone, 2-hydroxy-
- LogP
- 52279-26-2
- BNHJODMDMOKFFL-UHFFFAOYSA-N
- 2-hydroxy-3-octanone
- CHEBI:179952
- MFCD24688629
- SY349419
- LMFA12000123
- 3-octanon-2-ol
- SCHEMBL1022554
-
- Inchi： 1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h7,9H,3-6H2,1-2H3
- InChI Key： BNHJODMDMOKFFL-UHFFFAOYSA-N
- SMILES： OC(C)C(CCCCC)=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: 1.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-hydroxyoctan-3-one Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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