CAS 770-71-8

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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

CAS 770-71-8

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 Formula	C₁₁H₁₈O
Molecular Weight	166.26 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	166.135765193 g/mol
Monoisotopic Mass	166.135765193 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
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