Cas no 17627-43-9 (5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-)
17627-43-9 structure
Product Name:5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-
5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene- Chemical and Physical Properties
Names and Identifiers
-
- 5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene-
- 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
- 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane
- 5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-
- Einecs 241-609-3
- .beta.-Caryophyllene epoxide
- (10S,1R,4R,6R)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0<4,6>]dodeca ne
- NS00101167
- SY011401
- 13877-94-6
- Caryophyllene a-oxide
- 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0~4,6~]dodecane
- AKOS024282622
- 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
- Caryophyllene epoxide
- 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
- 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-
- SCHEMBL1532444
- NVEQFIOZRFFVFW-UHFFFAOYSA-N
- 17627-43-9
- 4,12,12-TRIMETHYL-9-METHYLIDENE-5-OXATRICYCLO[8.2.0.0?,?]DODECANE
- Caryophyllene oxyde
- Caryophylene oxide
- EINECS 237-642-8
- VS-12369
- FT-0623501
- 4,5-epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane
- 4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane, (1R,4R,6R,10S)-
- Isocaryophyllene, oxide
- (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-
- DTXSID50859585
- CHEBI:156179
- 4,5-Epoxy-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undecane
- NS00012081
- Q67879768
- (-)-.beta.-Caryophyllene oxide
- Caryophyllene alpha-oxide
- 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane
-
- Inchi: 1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3
- InChI Key: NVEQFIOZRFFVFW-UHFFFAOYSA-N
- SMILES: O1C2CCC(=C)C3CC(C)(C)C3CCC12C
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.5
- XLogP3: 3.6
Experimental Properties
- Density: 0.98
- Boiling Point: 279.7°Cat760mmHg
- Flash Point: 119.7°C
- PSA: 12.53
5-Oxatricyclo[8.2.0.04,6]dodecane,4,12,12-trimethyl-9-methylene- Related Literature
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Georgijs Stakanovs,Sergey Belyakov,Aigars Jirgensons,Dace Rasina Org. Biomol. Chem. 2022 20 2455
-
Xinghao Tu,Yijun Liu,Yao Yanli,Li Wenxiu,Luo Ping,Liqing Du,Junjun He,Lu Jian-neng RSC Adv. 2022 12 26485
-
Yi Chen,Wan Liao,Zongping Zhu,Jiao Chen,Qingsong Yang,Yongfeng Zheng,Xinjie Zhang,Boonjai Limsila,Meigui Lu,Shu Fu,Rui Li Food Funct. 2021 12 4199
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Gang Cao,Qiyuan Shan,Xiaomeng Li,Xiaodong Cong,Yun Zhang,Hao Cai,Baochang Cai Analyst 2011 136 4653
-
Xiaopeng Su,Jing Yu,Zhaotong Shi,Yamei Wang,Yan Li RSC Adv. 2023 13 14150
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