Cas no 64342-79-6 (Cycloheptanone, 2,2,7,7-tetramethyl-)
64342-79-6 structure
Product Name:Cycloheptanone, 2,2,7,7-tetramethyl-
CAS No:64342-79-6
MF:C11H20O
MW:168.275903701782
CID:424062
PubChem ID:13212145
Update Time:2025-04-19
Cycloheptanone, 2,2,7,7-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanone, 2,2,7,7-tetramethyl-
- 2,2,7,7-tetramethylcycloheptan-1-one
- 2,2,7,7-Tetramethylcycloheptanone
- DTXSID20528312
- 64342-79-6
- JLKIAKRBHSJJCQ-UHFFFAOYSA-N
- SCHEMBL3129262
-
- Inchi： 1S/C11H20O/c1-10(2)7-5-6-8-11(3,4)9(10)12/h5-8H2,1-4H3
- InChI Key： JLKIAKRBHSJJCQ-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)CCCCC1(C)C
Computed Properties
- Exact Mass: 168.1515
- Monoisotopic Mass: 168.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 169
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cycloheptanone, 2,2,7,7-tetramethyl- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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