Cas no 61502-73-6 (1,1,3,3-Cyclohexanetetrapropanenitrile, 5-(1,1-dimethylethyl)-2-oxo-)
61502-73-6 structure
Product Name:1,1,3,3-Cyclohexanetetrapropanenitrile, 5-(1,1-dimethylethyl)-2-oxo-
CAS No:61502-73-6
MF:C22H30N4O
MW:366.499804973602
CID:476970
PubChem ID:20317172
Update Time:2025-04-19
1,1,3,3-Cyclohexanetetrapropanenitrile, 5-(1,1-dimethylethyl)-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,1,3,3-Cyclohexanetetrapropanenitrile, 5-(1,1-dimethylethyl)-2-oxo-
- 3-[5-tert-butyl-1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
- SCHEMBL11657395
- 3,3',3'',3'''-(5-tert-Butyl-2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanenitrile
- DTXSID20605112
- 61502-73-6
- 4-t-butyl-2,2,6,6-tetra(beta-cyanoethyl)cyclohexanone
- OJTMBEZZSCHCDU-UHFFFAOYSA-N
-
- Inchi： 1S/C22H30N4O/c1-20(2,3)18-16-21(8-4-12-23,9-5-13-24)19(27)22(17-18,10-6-14-25)11-7-15-26/h18H,4-11,16-17H2,1-3H3
- InChI Key： OJTMBEZZSCHCDU-UHFFFAOYSA-N
- SMILES： O=C1C(CCC#N)(CCC#N)CC(C(C)(C)C)CC1(CCC#N)CCC#N
Computed Properties
- Exact Mass: 366.2422
- Monoisotopic Mass: 366.24196159g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 641
- 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: 2.3
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 112.23
1,1,3,3-Cyclohexanetetrapropanenitrile, 5-(1,1-dimethylethyl)-2-oxo- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
61502-73-6 (1,1,3,3-Cyclohexanetetrapropanenitrile, 5-(1,1-dimethylethyl)-2-oxo-) Related Products
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