Cas no 71735-82-5 (1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]ethanone)
![1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]ethanone structure](https://ossimg.kuujia.com/scimg/72000/71735-82-5x500.png)
71735-82-5 structure
Product Name:1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]ethanone
CAS No:71735-82-5
MF:C17H26O
MW:246.387745380402
CID:1749869
PubChem ID:73556689
Update Time:2025-04-21
1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]ethanone
- MMNBRFOWMAQCHY-UHFFFAOYSA-N
- 71735-82-5
- DTXCID601079078
- Ethanone, 1-(1,5,10-trimethyl-1,5,9-cyclododecatrienyl)-
- DTXSID00891036
-
- Inchi： 1S/C17H26O/c1-13-8-5-6-11-15(3)17(16(4)18)12-14(2)10-7-9-13/h8,10-11,17H,5-7,9,12H2,1-4H3
- InChI Key： MMNBRFOWMAQCHY-UHFFFAOYSA-N
- SMILES： O=C(C)C1C(C)=CCCC=C(C)CCC=C(C)C1
Computed Properties
- Exact Mass: 246.19848
- Monoisotopic Mass: 246.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-[(1R,2E,6E,10E)-2,7,11-trimethylcyclododeca-2,6,10-trien-1-yl]ethanone Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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