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2D Structure
Also known as: Glycerides, c8-10, 3-hydroxy-1-(octanoyloxy)propyl decanoate, Hallstar gc, Liponate gc, Tegosoft ct, Neobee o
Molecular Formula
C21H44O7
Molecular Weight
408.6  g/mol
InChI Key
STORWMDPIHOSMF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
decanoic acid;octanoic acid;propane-1,2,3-triol
2.1.2 InChI
InChI=1S/C10H20O2.C8H16O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-6H,1-2H2
2.1.3 InChI Key
STORWMDPIHOSMF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C(C(CO)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Glycerides, C8-10

2. 3-hydroxy-1-(octanoyloxy)propyl Decanoate

3. Hallstar Gc

4. Liponate Gc

5. Tegosoft Ct

6. Neobee O

7. Myglyol 812

8. C8-10 Glycerides

9. Triester F 810

10. Caprylic Acid, Capric Acid Triglyceride

11. Captex 300

12. Miglyol 812 N

13. Schembl580207

14. Octanoic/decanoic Acid Triglyceride

15. Einecs 265-724-3

16. Einecs 287-075-5

17. Nsc 647717

18. Caprylic Acid, Capric Acid, Triglyceride

19. Ft-0623445

20. E79154

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 408.6 g/mol
Molecular Formula C21H44O7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass408.30870374 g/mol
Monoisotopic Mass408.30870374 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count28
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3