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Technical details about 1-Adamantanemethanol, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 770-71-8, Adamantan-1-ylmethanol, 1-adamantylmethanol, 1-adamantane methanol, 1-(hydroxymethyl)adamantane, 3-(hydroxymethyl)adamantane
Molecular Formula
C11H18O
Molecular Weight
166.26  g/mol
InChI Key
MDVGOOIANLZFCP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-adamantylmethanol
2.1.2 InChI
InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2
2.1.3 InChI Key
MDVGOOIANLZFCP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC3CC1CC(C2)(C3)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 770-71-8

2. Adamantan-1-ylmethanol

3. 1-adamantylmethanol

4. 1-adamantane Methanol

5. 1-(hydroxymethyl)adamantane

6. 3-(hydroxymethyl)adamantane

7. Mfcd00074751

8. Adamantane-1-methanol

9. Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol

10. Hexahydro-2,5-methanopentalene-3a(1h)-methanol

11. Tricyclo[3.3.1.13,7]decanemethanol

12. (adamantan-1-yl)methanol

13. 1-adamantanemethanol (6ci,7ci,8ci); (adamantan-1-yl)methanol; 1-(hydroxymethyl)adamantane; 1-adamantylcarbinol; 1-adamantylmethanol

14. 1-hydroxymethyladamantane

15. Adamantanemethanol

16. 1-adamantanmethanol

17. Einecs 212-225-3

18. 1-adamantane-methanol

19. Adamantyl Methylalcohol

20. 1-adamantanyl Methanol

21. Adamantan-1-yl-methanol

22. Enamine_000905

23. 1-adamantyl Methylalcohol

24. 1-hydroxylmethyladamantane

25. (1-hydroxymethyl)adamantane

26. 1-adamantanemethanol, 99%

27. Schembl236361

28. Schembl17418023

29. Bdbm36249

30. Dtxsid20227818

31. Hms1396j03

32. Albb-013868

33. Bcp04222

34. Zinc1271106

35. Geo-04333

36. Stk385039

37. Akos000100807

38. Akos001033003

39. Akos003619580

40. Akos015908695

41. Akos023552911

42. Cs-w020560

43. Pb13004

44. Ac-16261

45. As-14217

46. Sy015615

47. A9763

48. Bb 0322388

49. Ft-0607300

50. H0420

51. Tricyclo[3.3.1.1~3,7~]dec-1-ylmethanol

52. En300-16797

53. Tricyclo[3.3.1.1~3,7~]decane-1-methanol

54. P10060

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

56. W-104329

57. W-206071

58. Z56782532

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 166.26 g/mol
Molecular Formula C11H18O
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass166.135765193 g/mol
Monoisotopic Mass166.135765193 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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