Cas no 68113-62-2 (5,6-Undecanedione)
5,6-Undecanedione structure
Product Name:5,6-Undecanedione
CAS No:68113-62-2
MF:C11H20O2
MW:184.275303840637
CID:393689
PubChem ID:13028095
Update Time:2025-04-19
5,6-Undecanedione Chemical and Physical Properties
Names and Identifiers
-
- 5,6-Undecanedione
- undecane-5,6-dione
- SCHEMBL534936
- DTXSID10515630
- 68113-62-2
-
- Inchi： 1S/C11H20O2/c1-3-5-7-9-11(13)10(12)8-6-4-2/h3-9H2,1-2H3
- InChI Key： ZTCSLVLUCAALRE-UHFFFAOYSA-N
- SMILES： O=C(C(CCCC)=O)CCCCC
Computed Properties
- Exact Mass: 184.1464
- Monoisotopic Mass: 184.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 162
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
5,6-Undecanedione Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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