Cas no 20479-06-5 ((+/-)-beta-copaene)
(+/-)-beta-copaene structure
Product Name:(+/-)-beta-copaene
CAS No:20479-06-5
MF:C15H24
MW:204.351064682007
CID:2072866
PubChem ID:25244198
Update Time:2025-04-21
(+/-)-beta-copaene Chemical and Physical Properties
Names and Identifiers
-
- (+/-)-beta-copaene
- beta-copaene
- beta-Copaene (2-isopropyl-5-methyl-9-methylen-dicyclo) decan
- beta-Cubelene
- beta-Ylangen
- 20479-06-5
- DTXSID501037132
- beta-Ylangene
-
- Inchi： 1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12-,13-,14?,15+/m1/s1
- InChI Key： UPVZPMJSRSWJHQ-KYRRZXGASA-N
- SMILES： [C@@]12(C)CCC(C(C)C)[C@H]3C1C(=C)CC[C@@H]23
Computed Properties
- Exact Mass: 204.187800766g/mol
- Monoisotopic Mass: 204.187800766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 0?2
(+/-)-beta-copaene Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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