1-Adamantaneethanol

Synopsis, Chemistry

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Also known as: 6240-11-5, 2-(1-adamantyl)ethanol, 2-(adamantan-1-yl)ethanol, Mfcd00074756, Tricyclo[3.3.1.13,7]decaneethanol(9ci), 2-(tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol

Molecular Formula

C₁₂H₂₀O

Molecular Weight

180.29 g/mol

InChI Key

ZBIDZPHRNBZTLT-UHFFFAOYSA-N

1 2D Structure

1-Adamantaneethanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1-adamantyl)ethanol

2.1.2 InChI

InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2

2.1.3 InChI Key

ZBIDZPHRNBZTLT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2CC3CC1CC(C2)(C3)CCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6240-11-5

2. 2-(1-adamantyl)ethanol

3. 2-(adamantan-1-yl)ethanol

4. Mfcd00074756

5. Tricyclo[3.3.1.13,7]decaneethanol(9ci)

6. 2-(tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol

7. Tricyclo[3.3.1.1(3,7)-]decane-1-ethanol

8. 1-admantaneethanol

9. 71411-98-8

10. 1-adamantane Ethanol

11. 2-(adamantan-1-yl)ethan-1-ol

12. 1-adamantanethanol

13. Einecs 275-406-6

14. Coelenterazinef

15. Tricyclo(3.3.1.13,7)decaneethanol

16. Chemdiv3_000222

17. 1-adamantaneethanol, 98%

18. 1-adamantyl-2-hydroxyethane

19. 2-(1-adamantyl)ethanol #

20. Oprea1_402313

21. 1-(2-hydroxyethyl)adamantane

22. Schembl237474

23. Dtxsid30211465

24. Hms1473k02

25. Albb-013869

26. Zinc1271108

27. 1-hydroxy-2-(adamant-1-yl)ethane

28. Einecs 228-353-8

29. Akos000100808

30. Akos001022021

31. Idi1_019540

32. Ncgc00177173-01

33. As-58489

34. Sy049903

35. Db-003063

36. Eu-0033464

37. Tricyclo[3.3.1.1~3,7~]decane-1-ethanol

38. 1-adamantaneethanol, Purum, >=98.0% (gc)

39. S12082

40. 240a115

41. Ag-668/02838018

42. Sr-01000389489

43. Sr-01000389489-1

44. W-105000

45. F0346-3681

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀O
Molecular Weight	180.29 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	180.151415257 g/mol
Monoisotopic Mass	180.151415257 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1