Cas no 52657-13-3 (2,4,8-Decatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-)
52657-13-3 structure
Product Name:2,4,8-Decatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-
CAS No:52657-13-3
MF:C14H23NO
MW:221.338524103165
CID:359151
PubChem ID:71365553
Update Time:2025-04-19
2,4,8-Decatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,8-Decatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-
- N-(2-methylpropyl)deca-2,4,8-trienamide
- DTXSID30788960
- 52657-13-3
- SCHEMBL1916844
- CHEMBL2011544
- BDBM50379797
-
- Inchi： 1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)
- InChI Key： OCUXKVCDBHKIIP-UHFFFAOYSA-N
- SMILES： O=C(C=CC=CCCC=CC)NCC(C)C
Computed Properties
- Exact Mass: 221.17809
- Monoisotopic Mass: 221.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 262
- 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: 3.6
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
2,4,8-Decatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
52657-13-3 (2,4,8-Decatrienamide, N-(2-methylpropyl)-, (2E,4E,8Z)-) Related Products
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