Hexadecan-1-Ol; 2-Methyloxirane; Oxirane

Synopsis, Chemistry

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Also known as: 37311-01-6, 9087-53-0, Hexadecan-1-ol;2-methyloxirane;oxirane, Polyoxyethylene (20) polyoxypropylene (4) cetyl ether, Ppg-4-ceteth-20, Triglyceryl beeswax

Molecular Formula

C₂₁H₄₄O₃

Molecular Weight

344.6 g/mol

InChI Key

GTABBGRXERZUAH-UHFFFAOYSA-N

1 2D Structure

Hexadecan-1-Ol; 2-Methyloxirane; Oxirane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexadecan-1-ol;2-methyloxirane;oxirane

2.1.2 InChI

InChI=1S/C16H34O.C3H6O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-3-2-4-3;1-2-3-1/h17H,2-16H2,1H3;3H,2H2,1H3;1-2H2

2.1.3 InChI Key

GTABBGRXERZUAH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCO.CC1CO1.C1CO1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 37311-01-6

2. 9087-53-0

3. Hexadecan-1-ol;2-methyloxirane;oxirane

4. Polyoxyethylene (20) Polyoxypropylene (4) Cetyl Ether

5. Ppg-4-ceteth-20

6. Triglyceryl Beeswax

7. Oxyethylated, Oxypropylated Hexadecanol

8. Oxirane, Methyl-, Polymer With Oxirane, Hexadecyl Ether

9. Ppg-1-ceteth-5

10. Ppg-2-ceteth-1

11. Ppg-2-ceteth-5

12. Ppg-4-ceteth-5

13. Ppg-8-ceteth-2

14. Ppg-1-ceteth-20

15. Ppg-4-ceteth-10

16. Ppg-5 Ceteth-20

17. Ppg-5-ceteth-20

18. Ppg-8-ceteth-10

19. Ppg-8-ceteth-20

20. Schembl285156

21. Polyoxyethylene (10) Polyoxypropylene (4) Cetyl Ether

22. Oxirane, 2-methyl-, Polymer With Oxirane, Hexadecyl Ether

23. Oxirane, Methyl-, Polymer With Oxirane, Monohexadecyl Ether

24. Cetyl Alcohol, Ethoxylated, Propoxylated

25. Polyethylene - Polypropylene Glycol Hexadecyl Ether

26. Polyoxyethylene (1) Polyoxypropylene (2) Cetyl Ether

27. Polyoxyethylene (10) Polyoxypropylene (8) Cetyl Ether

28. Polyoxyethylene (2) Polyoxypropylene (8) Cetyl Ether

29. Polyoxyethylene (20) Polyoxypropylene (1) Cetyl Ether

30. Polyoxyethylene (20) Polyoxypropylene (5) Cetyl Ether

31. Polyoxyethylene (20) Polyoxypropylene (8) Cetyl Ether

32. Polyoxyethylene (5) Polyoxypropylene (1) Cetyl Ether

33. Polyoxyethylene (5) Polyoxypropylene (2) Cetyl Ether

34. Polyoxyethylene (5) Polyoxypropylene (4) Cetyl Ether

35. Polyoxypropylene (1) Polyoxyethylene (20) Cetyl Ether

36. Polyoxypropylene (1) Polyoxyethylene (5) Cetyl Ether

37. Polyoxypropylene (2) Polyoxyethylene (1) Cetyl Ether

38. Polyoxypropylene (2) Polyoxyethylene (5) Cetyl Ether

39. Polyoxypropylene (4) Polyoxyethylene (10) Cetyl Ether

40. Polyoxypropylene (4) Polyoxyethylene (20) Cetyl Ether

41. Polyoxypropylene (4) Polyoxyethylene (5) Cetyl Ether

42. Polyoxypropylene (5) Polyoxyethylene (20) Cetyl Ether

43. Polyoxypropylene (8) Polyoxyethylene (10) Cetyl Ether

44. Polyoxypropylene (8) Polyoxyethylene (2) Cetyl Ether

45. Polyoxypropylene (8) Polyoxyethylene (20) Cetyl Ether

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₄O₃
Molecular Weight	344.6 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	14
Exact Mass	344.32904526 g/mol
Monoisotopic Mass	344.32904526 g/mol
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3