Cas no 139696-17-6 (Ethanone, 1-(4,9-dimethyl-12-methylene-4,8-cyclododecadien-1-yl)-)
139696-17-6 structure
Product Name:Ethanone, 1-(4,9-dimethyl-12-methylene-4,8-cyclododecadien-1-yl)-
CAS No:139696-17-6
MF:C17H26O
MW:246.387745380402
CID:1278782
PubChem ID:71343016
Update Time:2025-04-20
Ethanone, 1-(4,9-dimethyl-12-methylene-4,8-cyclododecadien-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-(4,9-dimethyl-12-methylene-4,8-cyclododecadien-1-yl)-
- 1-(4,9-dimethyl-12-methylidenecyclododeca-4,8-dien-1-yl)ethanone
- 1-(4,9-Dimethyl-12-methylidenecyclododeca-4,8-dien-1-yl)ethan-1-one
- DTXSID40769684
- 139696-17-6
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- Inchi： 1S/C17H26O/c1-13-7-5-6-8-14(2)10-12-17(16(4)18)15(3)11-9-13/h7-8,17H,3,5-6,9-12H2,1-2,4H3
- InChI Key： FNGGWMOUUCYPCH-UHFFFAOYSA-N
- SMILES： O=C(C)C1C(=C)CCC(C)=CCCC=C(C)CC1
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: 371
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(4,9-dimethyl-12-methylene-4,8-cyclododecadien-1-yl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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