Cas no 67220-81-9 (2-Cyclopenten-1-one, 3-(acetyloxy)-5-(2-butenyl)-2-methyl-)
67220-81-9 structure
Product Name:2-Cyclopenten-1-one, 3-(acetyloxy)-5-(2-butenyl)-2-methyl-
CAS No:67220-81-9
MF:C12H16O3
MW:208.253643989563
CID:395167
PubChem ID:71374895
Update Time:2025-04-19
2-Cyclopenten-1-one, 3-(acetyloxy)-5-(2-butenyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one, 3-(acetyloxy)-5-(2-butenyl)-2-methyl-
- (4-but-2-enyl-2-methyl-3-oxocyclopenten-1-yl) acetate
- 67220-81-9
- 4-(But-2-en-1-yl)-2-methyl-3-oxocyclopent-1-en-1-yl acetate
- DTXSID50797655
-
- Inchi： 1S/C12H16O3/c1-4-5-6-10-7-11(15-9(3)13)8(2)12(10)14/h4-5,10H,6-7H2,1-3H3
- InChI Key： FMIBJICONRHRTM-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=C(C)C(C(CC=CC)C1)=O
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 337
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Cyclopenten-1-one, 3-(acetyloxy)-5-(2-butenyl)-2-methyl- Related Literature
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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