Cas no 2658-92-6 (2-Cyclohexen-1-one,2-(3-buten-1-yl)-3-methyl-)
2658-92-6 structure
Product Name:2-Cyclohexen-1-one,2-(3-buten-1-yl)-3-methyl-
2-Cyclohexen-1-one,2-(3-buten-1-yl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one,2-(3-buten-1-yl)-3-methyl-
- 2-but-3-enyl-3-methylcyclohex-2-en-1-one
- 2658-92-6
- DTXSID60299019
- NSC-127532
- NSC 127532
- 2-(but-3-en-1-yl)-3-methylcyclohex-2-en-1-one
- NSC127532
-
- Inchi： 1S/C11H16O/c1-3-4-7-10-9(2)6-5-8-11(10)12/h3H,1,4-8H2,2H3
- InChI Key： WKGMMXCUFOLHKE-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C)=C1CCC=C
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohexen-1-one,2-(3-buten-1-yl)-3-methyl- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
2658-92-6 (2-Cyclohexen-1-one,2-(3-buten-1-yl)-3-methyl-) Related Products
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