Cas no 84765-48-0 (1,3-Benzenediol, 5-hexadecyl-)
1,3-Benzenediol, 5-hexadecyl- structure
Product Name:1,3-Benzenediol, 5-hexadecyl-
CAS No:84765-48-0
MF:C22H38O2
MW:334.535927295685
CID:666335
PubChem ID:10782972
Update Time:2025-04-19
1,3-Benzenediol, 5-hexadecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 5-hexadecyl-
- 5-hexadecylbenzene-1,3-diol
- 84765-48-0
- DTXSID70444871
-
- Inchi： 1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(24)18-20/h17-19,23-24H,2-16H2,1H3
- InChI Key： FYXJKENJKALVIL-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1)CCCCCCCCCCCCCCCC)O
Computed Properties
- Exact Mass: 334.287180451g/mol
- Monoisotopic Mass: 334.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 15
- Complexity: 257
- 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: 9.6
- Topological Polar Surface Area: 40.5?2
1,3-Benzenediol, 5-hexadecyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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