Cas no 61548-99-0 (4-Dodecanone, 2-methyl-)
4-Dodecanone, 2-methyl- structure
Product Name:4-Dodecanone, 2-methyl-
CAS No:61548-99-0
MF:C13H26O
MW:198.344944477081
CID:475269
PubChem ID:21945702
Update Time:2025-04-19
4-Dodecanone, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Dodecanone, 2-methyl-
- 2-methyldodecan-4-one
- DTXSID60620546
- SCHEMBL1071980
- AKOS011914716
- 61548-99-0
-
- Inchi： 1S/C13H26O/c1-4-5-6-7-8-9-10-13(14)11-12(2)3/h12H,4-11H2,1-3H3
- InChI Key： KRYYERQBFNLFGB-UHFFFAOYSA-N
- SMILES： O=C(CC(C)C)CCCCCCCC
Computed Properties
- Exact Mass: 198.19848
- Monoisotopic Mass: 198.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 138
- 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: 5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4-Dodecanone, 2-methyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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