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Also known as: 5001-18-3, 1,3-dihydroxyadamantane, Adamantane-1,3-diol, Tricyclo[3.3.1.13,7]decane-1,3-diol, Tricyclo[3.3.1.1~3,7~]decane-1,3-diol, Mfcd00154013
Molecular Formula
C10H16O2
Molecular Weight
168.23  g/mol
InChI Key
MOLCWHCSXCKHAP-UHFFFAOYSA-N

CAS 5001-18-3
1 2D Structure

CAS 5001-18-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
adamantane-1,3-diol
2.1.2 InChI
InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
2.1.3 InChI Key
MOLCWHCSXCKHAP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC3(CC1CC(C2)(C3)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5001-18-3

2. 1,3-dihydroxyadamantane

3. Adamantane-1,3-diol

4. Tricyclo[3.3.1.13,7]decane-1,3-diol

5. Tricyclo[3.3.1.1~3,7~]decane-1,3-diol

6. Mfcd00154013

7. 1,3-adamantandiol

8. 1,3-dihydroxyadamanatane

9. Adamantan-1,3-diol

10. 1,3-adamantane Diol

11. 1,3-adamantane-diol

12. ?1,3-adamantanediol

13. 1,3-adamantanediol #

14. 1, 3-dihydroxyadamantane

15. Oprea1_509718

16. Schembl424418

17. Schembl14791285

18. Schembl15467155

19. Schembl15858211

20. Schembl16361440

21. Dtxsid30198181

22. Adamantane-1,2-diol;adamantanediol

23. Amy11158

24. Bcp33308

25. Bbl012286

26. Stk803145

27. Akos001483023

28. Akos016034998

29. Akos037643343

30. Cs-w001580

31. 1,3-adamantanediol;adamantane-1,3-diol

32. 1,3-adamantanediol, >=99.0% (gc)

33. As-14625

34. Ds-13497

35. Sy030302

36. En300-121797

37. O10344

38. Acyclovir, Antibiotic For Culture Media Use Only

39. A827931

40. Sr-01000396850

41. Q-200592

42. Sr-01000396850-1

43. Z1509059210

2.2.2 Other Synonyms

1. 1, 3-dihydroxyadamantane

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 168.23 g/mol
Molecular Formula C10H16O2
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area40.5
Heavy Atom Count12
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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