Cas no 62248-55-9 (1,3-Cyclopentanedione, 2-nonyl-)
62248-55-9 structure
Product Name:1,3-Cyclopentanedione, 2-nonyl-
CAS No:62248-55-9
MF:C14H24O2
MW:224.339164733887
CID:452502
PubChem ID:13240820
Update Time:2025-04-19
1,3-Cyclopentanedione, 2-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclopentanedione, 2-nonyl-
- 2-nonylcyclopentane-1,3-dione
- DTXSID60531269
- 62248-55-9
-
- Inchi： 1S/C14H24O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h12H,2-11H2,1H3
- InChI Key： SADKOQWZMVJUTP-UHFFFAOYSA-N
- SMILES： O=C1CCC(C1CCCCCCCCC)=O
Computed Properties
- Exact Mass: 224.17772
- 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: 8
- Complexity: 217
- 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: 4.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclopentanedione, 2-nonyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
62248-55-9 (1,3-Cyclopentanedione, 2-nonyl-) Related Products
- 823-36-9(2-Ethyl-1,3-cyclopentanedione)
- 1540-34-7(3-Ethyl-2,4-pentanedione)
- 18362-64-6(2,6-Dimethyl-3,5-heptanedione)
- 137-03-1(2-Heptylcyclopentanone)
- 1670-46-8(2-acetylcyclopentan-1-one)
- 4819-67-4(2-Pentylcyclopentanone)
- 6004-60-0(1-cyclopentylethan-1-one)
- 1120-72-5(2-methylcyclopentan-1-one)
- 765-69-5(2-Methylcyclopentane-1,3-dione)
- 1540-36-9(3-n-Butyl-2,4-pentanedione)
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