Cas no 65799-79-3 (3-Ethyl-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one)
65799-79-3 structure
Product Name:3-Ethyl-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
CAS No:65799-79-3
MF:C12H18O
MW:178.270723819733
CID:2794644
PubChem ID:71370160
Update Time:2025-04-21
3-Ethyl-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID10793153
- 65799-79-3
- 3-Ethyl-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
-
- Inchi: 1S/C12H18O/c1-5-10-6-11(8(2)3)7-12(13)9(10)4/h11H,2,5-7H2,1,3-4H3
- InChI Key: IGKGKXWMRFHDAM-UHFFFAOYSA-N
- SMILES: O=C1C(C)=C(CC)CC(C(=C)C)C1
Computed Properties
- Exact Mass: 178.135765193Da
- Monoisotopic Mass: 178.135765193Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 271
- 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: 2.8
- Topological Polar Surface Area: 17.1?2
3-Ethyl-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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