Cas no 112014-74-1 (2-oxo-1-(3-oxobutyl)cyclododecane-1-carbonitrile)
112014-74-1 structure
Product Name:2-oxo-1-(3-oxobutyl)cyclododecane-1-carbonitrile
CAS No:112014-74-1
MF:C17H27NO2
MW:277.401785135269
CID:2607856
PubChem ID:13760963
Update Time:2025-04-21
2-oxo-1-(3-oxobutyl)cyclododecane-1-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-oxo-1-(3-oxobutyl)cyclododecane-1-carbonitrile
- DTXCID80499453
- DTXSID50548669
- 112014-74-1
-
- Inchi： 1S/C17H27NO2/c1-15(19)11-13-17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h2-13H2,1H3
- InChI Key： PMFMYNILXSPUDY-UHFFFAOYSA-N
- SMILES： O=C1CCCCCCCCCCC1(C#N)CCC(C)=O
Computed Properties
- Exact Mass: 277.204179104Da
- Monoisotopic Mass: 277.204179104Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 380
- 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: 4
- Topological Polar Surface Area: 57.9?2
2-oxo-1-(3-oxobutyl)cyclododecane-1-carbonitrile Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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