Cas no 125646-14-2 (Butanedioic acid, mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester)
![Butanedioic acid, mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester structure](https://ossimg.kuujia.com/scimg/126000/125646-14-2x500.png)
125646-14-2 structure
Product Name:Butanedioic acid, mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester
CAS No:125646-14-2
MF:C39H71O8
MW:667.97625374794
CID:1218429
PubChem ID:21712002
Update Time:2025-04-20
Butanedioic acid, mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester
- 4-[2,3-di(hexadecanoyloxy)propoxy]-4-oxobutanoate
- 125646-14-2
- DTXSID40617237
- 4-[2,3-BIS(HEXADECANOYLOXY)PROPOXY]-4-OXOBUTANOATE
-
- Inchi： 1S/C39H72O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(42)45-33-35(34-46-38(43)32-31-36(40)41)47-39(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,40,41)/p-1
- InChI Key： GNENAKXIVCYCIZ-UHFFFAOYSA-M
- SMILES： O(C(COC(CCC(=O)[O-])=O)COC(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 668.52296
- Monoisotopic Mass: 667.51489422g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 47
- Rotatable Bond Count: 38
- Complexity: 748
- 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: 14.7
- Topological Polar Surface Area: 119?2
Experimental Properties
- PSA: 116.2
Butanedioic acid, mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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