Cas no 68125-02-0 ((2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide)
68125-02-0 structure
Product Name:(2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CAS No:68125-02-0
MF:C16H25NO
MW:247.375804662704
CID:1724799
PubChem ID:6440406
Update Time:2025-04-21
(2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide Chemical and Physical Properties
Names and Identifiers
-
- (2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
- Dodecatetraenamide, N-(2-methylpropyl)-
- 68125-02-0
- SCHEMBL6055028
-
- Inchi： 1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-13,15H,4-5,14H2,1-3H3,(H,17,18)/b7-6+,9-8+,11-10+,13-12+
- InChI Key： VSHOCVUMLJIAFW-JMKMCQKYSA-N
- SMILES： O=C(/C=C/C=C/C=C/C=C/CCC)NCC(C)C
Computed Properties
- Exact Mass: 247.19375
- Monoisotopic Mass: 247.193614421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 322
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
(2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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