Cas no 17598-92-4 ((3-Hexanoyloxy-2-hydroxypropyl) hexanoate)
17598-92-4 structure
Product Name:(3-Hexanoyloxy-2-hydroxypropyl) hexanoate
CAS No:17598-92-4
MF:C15H28O5
MW:288.379825592041
CID:96226
Update Time:2023-08-02
(3-Hexanoyloxy-2-hydroxypropyl) hexanoate Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-hydroxy-1,3-propanediyl ester
- DICAPROIN
- hexanoic acid 3-hexanoyloxy-2-hydroxypropyl ester
- DIHEXANOIN
- 1-O,3-O-Dicaproyl-L-glycerol
- Dihexanoic acid 2-hydroxy-1,3-propanediyl ester
- 1,3-dicaproylglycerol
- alpha,alpha'-Dicaproin
- (3-Hexanoyloxy-2-hydroxypropyl) hexanoate
-
- Inchi： 1S/C15H28O5/c1-3-5-7-9-14(17)19-11-13(16)12-20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3
- InChI Key： DQQLOSMRRMBPNG-UHFFFAOYSA-N
- SMILES： O(C(CCCCC)=O)CC(COC(CCCCC)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 239
- Topological Polar Surface Area: 72.8
(3-Hexanoyloxy-2-hydroxypropyl) hexanoate Related Literature
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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