Cas no 52086-46-1 (5(6H)-Benzocyclodecenone, 7,8,9,10,11,12-hexahydro-4-methyl-)
52086-46-1 structure
Product Name:5(6H)-Benzocyclodecenone, 7,8,9,10,11,12-hexahydro-4-methyl-
CAS No:52086-46-1
MF:C15H20O
MW:216.318704605103
CID:360687
PubChem ID:12336740
Update Time:2025-04-19
5(6H)-Benzocyclodecenone, 7,8,9,10,11,12-hexahydro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5(6H)-Benzocyclodecenone, 7,8,9,10,11,12-hexahydro-4-methyl-
- 4-methyl-7,8,9,10,11,12-hexahydro-6H-benzo[10]annulen-5-one
- 4-Methyl-7,8,9,10,11,12-hexahydrobenzo[10]annulen-5(6H)-one
- 52086-46-1
- DTXSID80491472
-
- Inchi： 1S/C15H20O/c1-12-8-7-10-13-9-5-3-2-4-6-11-14(16)15(12)13/h7-8,10H,2-6,9,11H2,1H3
- InChI Key： SFSMRELVEBQBKW-UHFFFAOYSA-N
- SMILES： O=C1C2C(C)=CC=CC=2CCCCCCC1
Computed Properties
- Exact Mass: 216.1515
- Monoisotopic Mass: 216.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 234
- 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: 4.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
5(6H)-Benzocyclodecenone, 7,8,9,10,11,12-hexahydro-4-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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
52086-46-1 (5(6H)-Benzocyclodecenone, 7,8,9,10,11,12-hexahydro-4-methyl-) Related Products
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