Cas no 88987-00-2 (1,2-Cyclohexanedione, 3-octyl-)
88987-00-2 structure
Product Name:1,2-Cyclohexanedione, 3-octyl-
CAS No:88987-00-2
MF:C14H24O2
MW:224.339164733887
CID:617096
PubChem ID:13756292
Update Time:2025-04-19
1,2-Cyclohexanedione, 3-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedione, 3-octyl-
- 3-octylcyclohexane-1,2-dione
- DTXSID10548504
- 88987-00-2
-
- Inchi： 1S/C14H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(15)14(12)16/h12H,2-11H2,1H3
- InChI Key： JIEDFRNWSHIHES-UHFFFAOYSA-N
- SMILES： O=C1C(CCCC1CCCCCCCC)=O
Computed Properties
- Exact Mass: 224.177630004g/mol
- Monoisotopic Mass: 224.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 233
- 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: 4.1
- Topological Polar Surface Area: 34.1?2
1,2-Cyclohexanedione, 3-octyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
88987-00-2 (1,2-Cyclohexanedione, 3-octyl-) Related Products
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