Cas no 17671-28-2 (Octadecane,1-[bis(octadecyloxy)methoxy]-)
17671-28-2 structure
Product Name:Octadecane,1-[bis(octadecyloxy)methoxy]-
CAS No:17671-28-2
MF:C55H112O3
MW:821.475998878479
CID:190854
PubChem ID:87222
Update Time:2025-04-19
Octadecane,1-[bis(octadecyloxy)methoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Octadecane,1-[bis(octadecyloxy)methoxy]-
- 1-(dioctadecoxymethoxy)octadecane
- TRISTEARYL ORTHOFORMATE
- EINECS 241-647-0
- Tristearyl orthioformate
- 1,1',1''-[methylidynetris(oxy)]trisoctadecane
- AZJIEXRJDXOMAN-UHFFFAOYSA-N
- tris(octadecyl)-orthoformic acid
- Octadecane, 1-[bis(octadecyloxy)methoxy]-
- 4-(AMINOCARBONOTHIOYL)BENZOICACID
- NSC-70110
- trioctadecyl orthoformate
- tris(octadecyloxy)methane
- 17671-28-2
- NSC 70110
- 1,1',1''-(Methylidynetris(oxy))trisoctadecane
- AKOS024430228
- FT-0637579
- SCHEMBL4594523
- DTXSID00170176
- NS00054813
- NSC70110
-
- Inchi: 1S/C55H112O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55H,4-54H2,1-3H3
- InChI Key: AZJIEXRJDXOMAN-UHFFFAOYSA-N
- SMILES: O(C(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 820.86100
- Monoisotopic Mass: 820.86114743g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 58
- Rotatable Bond Count: 54
- Complexity: 592
- 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: 26.5
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69000
- LogP: 20.10430
Octadecane,1-[bis(octadecyloxy)methoxy]- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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