Cas no 224965-24-6 (1-(Octyloxy)-1-oxooctadecan-2-yl benzoate)
224965-24-6 structure
Product Name:1-(Octyloxy)-1-oxooctadecan-2-yl benzoate
CAS No:224965-24-6
MF:C33H56O4
MW:516.795351028442
CID:2836596
PubChem ID:71356916
Update Time:2025-04-21
1-(Octyloxy)-1-oxooctadecan-2-yl benzoate Chemical and Physical Properties
Names and Identifiers
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- 224965-24-6
- DTXSID70781016
- 1-(Octyloxy)-1-oxooctadecan-2-yl benzoate
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- Inchi： 1S/C33H56O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-24-28-31(37-32(34)30-26-22-21-23-27-30)33(35)36-29-25-20-10-8-6-4-2/h21-23,26-27,31H,3-20,24-25,28-29H2,1-2H3
- InChI Key： DZSUQYLEWRURQX-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C(=O)OCCCCCCCC)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 516.41786026Da
- Monoisotopic Mass: 516.41786026Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 27
- Complexity: 526
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.4
- Topological Polar Surface Area: 52.6?2
1-(Octyloxy)-1-oxooctadecan-2-yl benzoate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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