Cas no 5933-75-5 (ethyl 11-(4-iodophenyl)undecanoate)
5933-75-5 structure
Product Name:ethyl 11-(4-iodophenyl)undecanoate
CAS No:5933-75-5
MF:C19H29IO2
MW:416.33683848381
CID:1617755
PubChem ID:22220
Update Time:2025-04-21
ethyl 11-(4-iodophenyl)undecanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 11-(4-iodophenyl)undecanoate
- DTXSID20274726
- 5933-75-5
- SCHEMBL9559017
-
- Inchi： 1S/C19H29IO2/c1-2-22-19(21)12-10-8-6-4-3-5-7-9-11-17-13-15-18(20)16-14-17/h13-16H,2-12H2,1H3
- InChI Key： BBFSXKUIVDQMIR-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)CCCCCCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 416.12087
- Monoisotopic Mass: 416.121223
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 273
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 7.2
Experimental Properties
- Density: 1.264
- Boiling Point: 422.4°C at 760 mmHg
- Flash Point: 209.3°C
- Refractive Index: 1.528
- PSA: 26.3
ethyl 11-(4-iodophenyl)undecanoate Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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