Cas no 62628-04-0 (3,6,9,11,14,17,20-Heptaoxaoctatriacontane, 1-(nonylphenoxy)-)
62628-04-0 structure
Product Name:3,6,9,11,14,17,20-Heptaoxaoctatriacontane, 1-(nonylphenoxy)-
CAS No:62628-04-0
MF:C46H86O8
MW:767.170256137848
CID:437380
PubChem ID:71384393
Update Time:2025-04-19
3,6,9,11,14,17,20-Heptaoxaoctatriacontane, 1-(nonylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,11,14,17,20-Heptaoxaoctatriacontane, 1-(nonylphenoxy)-
- 1-nonyl-2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxymethoxy]ethoxy]ethoxy]ethoxy]benzene
- 62628-04-0
- 1-(2-NONYLPHENOXY)-3,6,9,11,14,17,20-HEPTAOXAOCTATRIACONTANE
- DTXSID70806657
-
- Inchi： 1S/C46H86O8/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-27-31-47-32-33-48-34-35-49-38-40-52-44-53-41-39-50-36-37-51-42-43-54-46-30-26-25-29-45(46)28-24-22-20-10-8-6-4-2/h25-26,29-30H,3-24,27-28,31-44H2,1-2H3
- InChI Key： QHHAVJFUKPDFDV-UHFFFAOYSA-N
- SMILES： O(CCOCCOCCOCOCCOCCOCCOC1C=CC=CC=1CCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 766.63258
- Monoisotopic Mass: 766.63226970g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 54
- Rotatable Bond Count: 46
- Complexity: 683
- 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: 14.4
- Topological Polar Surface Area: 73.8?2
Experimental Properties
- PSA: 73.84
3,6,9,11,14,17,20-Heptaoxaoctatriacontane, 1-(nonylphenoxy)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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