Cas no 79801-37-9 (Bicyclo[3.1.1]heptan-6-one,7,7-dimethyl-)
![Bicyclo[3.1.1]heptan-6-one,7,7-dimethyl- structure](https://ossimg.kuujia.com/scimg/80000/79801-37-9x500.png)
79801-37-9 structure
Product Name:Bicyclo[3.1.1]heptan-6-one,7,7-dimethyl-
Bicyclo[3.1.1]heptan-6-one,7,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo(3.1.1)heptan-6-one, 7,7-dimethyl-
- 6,6-dimethylbicyclo[3.1.1]heptan-7-one
- Bicyclo[3.1.1]heptan-6-one,7,7-dimethyl-
- 7,7-dimethylbicyclo[3.1.1]heptan-6-one
- DTXSID201000746
- 79801-37-9
-
- Inchi： 1S/C9H14O/c1-9(2)6-4-3-5-7(9)8(6)10/h6-7H,3-5H2,1-2H3
- InChI Key： XPXBDAVIMPZNSQ-UHFFFAOYSA-N
- SMILES： O=C1C2CCCC1C2(C)C
Computed Properties
- Exact Mass: 138.104
- Monoisotopic Mass: 138.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.986
- Boiling Point: 196.3°C at 760 mmHg
- Flash Point: 65.5°C
- Refractive Index: 1.479
Bicyclo[3.1.1]heptan-6-one,7,7-dimethyl- 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
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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