Cas no 186358-39-4 (Benzaldehyde, 4-iodo-2,5-bis(octyloxy)-)
186358-39-4 structure
Product Name:Benzaldehyde, 4-iodo-2,5-bis(octyloxy)-
CAS No:186358-39-4
MF:C23H37IO3
MW:488.442559957504
CID:1379720
PubChem ID:4664837
Update Time:2025-04-20
Benzaldehyde, 4-iodo-2,5-bis(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-iodo-2,5-bis(octyloxy)-
- 4-iodo-2,5-dioctoxybenzaldehyde
- DTXSID30405362
- AKOS024275785
- 4-iodo-2,5-dioctyloxybenzaldehyde
- 186358-39-4
- ST013926
- 4-IODO-2,5-BIS(OCTYLOXY)BENZALDEHYDE
-
- Inchi： 1S/C23H37IO3/c1-3-5-7-9-11-13-15-26-22-18-21(24)23(17-20(22)19-25)27-16-14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3
- InChI Key： XBLXIWSNVRTGAD-UHFFFAOYSA-N
- SMILES： IC1=CC(=C(C=O)C=C1OCCCCCCCC)OCCCCCCCC
Computed Properties
- Exact Mass: 488.17841
- Monoisotopic Mass: 488.17874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 17
- Complexity: 351
- 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: 8.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzaldehyde, 4-iodo-2,5-bis(octyloxy)- Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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