Cas no 70333-06-1 (4,8,8-trimethyloxocan-2-one)
4,8,8-trimethyloxocan-2-one structure
Product Name:4,8,8-trimethyloxocan-2-one
CAS No:70333-06-1
MF:C10H18O2
MW:170.248723506927
CID:1743423
PubChem ID:112204
Update Time:2025-04-21
4,8,8-trimethyloxocan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 4,8,8-trimethyloxocan-2-one
- 2-oxocanone, 4,8,8-trimethyl-
- DTXSID80887699
- 70333-06-1
- JUYPSDYNGRGPOO-UHFFFAOYSA-N
-
- Inchi： 1S/C10H18O2/c1-8-5-4-6-10(2,3)12-9(11)7-8/h8H,4-7H2,1-3H3
- InChI Key： JUYPSDYNGRGPOO-UHFFFAOYSA-N
- SMILES： O1C(CC(C)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 173
- 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: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
4,8,8-trimethyloxocan-2-one Related Literature
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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
-
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
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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