CAS 707-37-9

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13 Related Intermediates

Chemistry

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Also known as: 3,5-dimethyladamantan-1-ol, 707-37-9, 1-hydroxy-3,5-dimethyladamantane, 1,3-dimethyl-5-hydroxyadamantane, 1,3-dimethyl-5-adamantanol, L7qmg2cgv9

Molecular Formula

C₁₂H₂₀O

Molecular Weight

180.29 g/mol

InChI Key

LBWCITVBZLTEKW-UHFFFAOYSA-N

FDA UNII

L7QMG2CGV9

1 2D Structure

CAS 707-37-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dimethyladamantan-1-ol

2.1.2 InChI

InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3

2.1.3 InChI Key

LBWCITVBZLTEKW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC12CC3CC(C1)(CC(C3)(C2)O)C

2.2 Other Identifiers

2.2.1 UNII

L7QMG2CGV9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3,5-dimethyladamantan-1-ol

2. 707-37-9

3. 1-hydroxy-3,5-dimethyladamantane

4. 1,3-dimethyl-5-hydroxyadamantane

5. 1,3-dimethyl-5-adamantanol

6. L7qmg2cgv9

7. Nsc-102294

8. Tricyclo[3.3.1.13,7]decan-1-ol, 3,5-dimethyl-

9. 5,7-dimethyl-3-adamantanol

10. 3,5-dimethyl-1-hydroxyadamantane

11. Mfcd00074775

12. Memantine Related Compound B [usp-rs]

13. Memantine Related Compound B

14. Tricyclo(3.3.1.13,7)decan-1-ol, 3,5-dimethyl-

15. Nsc102294

16. Unii-l7qmg2cgv9

17. Dimethyladamantanol [usp]

18. Schembl733948

19. Dtxsid10295485

20. 1-hydroxy-3,5-dimethyl Adamantane

21. Albb-013874

22. Amy18593

23. Bcp17454

24. Memantine Related Compound B [usp]

25. Stl420421

26. Akos001056991

27. Akos016313890

28. Cs-w016006

29. Ac-14487

30. As-15103

31. Sy053229

32. Db-003031

33. D3697

34. Ft-0667364

35. A836978

36. Ae-641/01642003

37. 3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-ol

38. Memantine Related Compound B [usp Impurity]

39. Z56852724

40. Tricyclo[3.3.1.1~3,7~]decan-1-ol, 3,5-dimethyl-

41. Memantine Related Compound B;3,5-dimethyladamantane-1-ol

42. Tricyclo(3.3.1.1(sup 3,7))decan-1-ol, 3,5-dimethyl-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀O
Molecular Weight	180.29 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
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	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1