Cas no 51953-70-9 (Acetic acid, 4-cycloocten-1-ylidene-, ethyl ester)
51953-70-9 structure
Product Name:Acetic acid, 4-cycloocten-1-ylidene-, ethyl ester
CAS No:51953-70-9
MF:C12H18O2
MW:194.270123958588
CID:360975
PubChem ID:71365871
Update Time:2025-04-19
Acetic acid, 4-cycloocten-1-ylidene-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 4-cycloocten-1-ylidene-, ethyl ester
- ethyl 2-cyclooct-4-en-1-ylideneacetate
- 51953-70-9
- Ethyl (cyclooct-4-en-1-ylidene)acetate
- DTXSID30789255
-
- Inchi： 1S/C12H18O2/c1-2-14-12(13)10-11-8-6-4-3-5-7-9-11/h3-4,10H,2,5-9H2,1H3
- InChI Key： GSDIULAYTPGDHE-UHFFFAOYSA-N
- SMILES： O(CC)C(C=C1CCC=CCCC1)=O
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Acetic acid, 4-cycloocten-1-ylidene-, ethyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
51953-70-9 (Acetic acid, 4-cycloocten-1-ylidene-, ethyl ester) Related Products
- 16409-44-2(2,6-Octadien-1-ol,3,7-dimethyl-, 1-acetate)
- 7367-88-6(Ethyl 2-(E)-Decenoate)
- 1903-23-7(ethyl 2-cycloheptylideneacetate)
- 7367-82-0(trans-2-Octenoic acid ethyl ester)
- 1552-92-7(2-Cyclohexylidene-acetic Acid Ethyl Ester)
- 141-12-8(Neryl acetate)
- 10485-70-8(2,6,10-Dodecatrienoicacid, 3,7,11-trimethyl-, methyl ester)
- 1903-22-6(Ethyl 2-cyclopentylideneacetate)
- 27741-65-7(Ethyl 2-cyclobutylideneacetate)
- 15677-00-6(Ethyl-3-methyl-2-hexenoate)
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