Cas no 62221-93-6 (Cyclohexanecarboxamide, 1-octyl-2-oxo-)
62221-93-6 structure
Product Name:Cyclohexanecarboxamide, 1-octyl-2-oxo-
CAS No:62221-93-6
MF:C15H27NO2
MW:253.380384683609
CID:453813
PubChem ID:12330586
Update Time:2025-04-19
Cyclohexanecarboxamide, 1-octyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide, 1-octyl-2-oxo-
- 1-octyl-2-oxocyclohexane-1-carboxamide
- DTXSID60490529
- 62221-93-6
-
- Inchi: 1S/C15H27NO2/c1-2-3-4-5-6-8-11-15(14(16)18)12-9-7-10-13(15)17/h2-12H2,1H3,(H2,16,18)
- InChI Key: PBPMSHZVRDTNCR-UHFFFAOYSA-N
- SMILES: O=C1CCCCC1(C(N)=O)CCCCCCCC
Computed Properties
- Exact Mass: 253.20431
- Monoisotopic Mass: 253.204179104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 288
- 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: 4.6
- Topological Polar Surface Area: 60.2?2
Experimental Properties
- PSA: 60.16
Cyclohexanecarboxamide, 1-octyl-2-oxo- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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