Cas no 920751-50-4 (Phenol, 3,3'-(8E)-8-hexadecene-1,16-diylbis-)
920751-50-4 structure
Product Name:Phenol, 3,3'-(8E)-8-hexadecene-1,16-diylbis-
CAS No:920751-50-4
MF:C28H40O2
MW:408.616008758545
CID:755351
PubChem ID:71423917
Update Time:2025-04-19
Phenol, 3,3'-(8E)-8-hexadecene-1,16-diylbis- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3,3'-(8E)-8-hexadecene-1,16-diylbis-
- 3-[16-(3-hydroxyphenyl)hexadec-8-enyl]phenol
- 3,3'-(Hexadec-8-ene-1,16-diyl)diphenol
- 920751-50-4
- DTXSID20842722
-
- Inchi： 1S/C28H40O2/c29-27-21-15-19-25(23-27)17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-26-20-16-22-28(30)24-26/h1-2,15-16,19-24,29-30H,3-14,17-18H2
- InChI Key： KHGMYBIBQXVCIQ-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)CCCCCCCC=CCCCCCCCC1C=CC=C(C=1)O
Computed Properties
- Exact Mass: 408.302830514g/mol
- Monoisotopic Mass: 408.302830514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 16
- Complexity: 381
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 10.1
- Topological Polar Surface Area: 40.5?2
Phenol, 3,3'-(8E)-8-hexadecene-1,16-diylbis- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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