Cas no 61685-58-3 (7-Nonen-2-one, 3,8-dimethyl-4-methylene-)
61685-58-3 structure
Product Name:7-Nonen-2-one, 3,8-dimethyl-4-methylene-
CAS No:61685-58-3
MF:C12H20O
MW:180.286603927612
CID:470068
PubChem ID:71393378
Update Time:2025-04-19
7-Nonen-2-one, 3,8-dimethyl-4-methylene- Chemical and Physical Properties
Names and Identifiers
-
- 7-Nonen-2-one, 3,8-dimethyl-4-methylene-
- 3,8-dimethyl-4-methylidenenon-7-en-2-one
- 61685-58-3
- DTXSID70815143
-
- Inchi： 1S/C12H20O/c1-9(2)7-6-8-10(3)11(4)12(5)13/h7,11H,3,6,8H2,1-2,4-5H3
- InChI Key： HMFYDEYAPKTPLP-UHFFFAOYSA-N
- SMILES： O=C(C)C(C)C(=C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 180.1515
- Monoisotopic Mass: 180.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
7-Nonen-2-one, 3,8-dimethyl-4-methylene- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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