Cas no 117505-96-1 (2,4,8-Dodecatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-)
117505-96-1 structure
Product Name:2,4,8-Dodecatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-
CAS No:117505-96-1
MF:C16H27NO
MW:249.391684770584
CID:1207098
PubChem ID:71339374
Update Time:2025-04-20
2,4,8-Dodecatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,8-Dodecatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-
- N-(2-methylpropyl)dodeca-2,4,8-trienamide
- 117505-96-1
- DTXSID20766818
-
- Inchi： 1S/C16H27NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,17,18)
- InChI Key： BIALAUUMSWBKIU-UHFFFAOYSA-N
- SMILES： O=C(C=CC=CCCC=CCCC)NCC(C)C
Computed Properties
- Exact Mass: 249.20941
- Monoisotopic Mass: 249.209264485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- XLogP3: 4.5
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
2,4,8-Dodecatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
117505-96-1 (2,4,8-Dodecatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-) Related Products
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