MolPort-001-766-735

Synopsis, Chemistry

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Also known as: Adamantan-2-ol, 700-57-2, 2-hydroxyadamantane, Tricyclo[3.3.1.13,7]decan-2-ol, Chembl1269176, Tricyclo[3.3.1.1~3,7~]decan-2-ol

Molecular Formula

C₁₀H₁₆O

Molecular Weight

152.23 g/mol

InChI Key

FOWDOWQYRZXQDP-UHFFFAOYSA-N

1 2D Structure

MolPort-001-766-735

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

adamantan-2-ol

2.1.2 InChI

InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2

2.1.3 InChI Key

FOWDOWQYRZXQDP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2CC3CC1CC(C2)C3O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Adamantan-2-ol

2. 700-57-2

3. 2-hydroxyadamantane

4. Tricyclo[3.3.1.13,7]decan-2-ol

5. Chembl1269176

6. Tricyclo[3.3.1.1~3,7~]decan-2-ol

7. Tricyclo(3.3.1.13,7)decan-2-ol

8. Mfcd00074744

9. 2alpha-adamantanol

10. Einecs 211-846-7

11. 2-adamantanol, 97%

12. Schembl350390

13. Schembl13082659

14. Dtxsid00220266

15. Hms1787b03

16. Albb-013875

17. Zinc1733114

18. Bdbm50329319

19. Nsc193480

20. Stk365644

21. 2-tricyclo[3.3.1.13,7]decanol

22. Akos001023938

23. Akos034830296

24. 2-tricyclo[3.3.1.13, 7]decanol

25. Ac-8481

26. Cs-w000383

27. Nsc 193480

28. Nsc-193480

29. Tricyclo[3.3.1.1(3,7)]decan-2-ol

30. Tricyclo[3.3.1.1<3,7>]decan-2-ol

31. Db-020353

32. A0720

33. Ft-0610989

34. F15454

35. 700a572

36. A836750

37. W-104572

38. Z56757309

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆O
Molecular Weight	152.23 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	152.120115130 g/mol
Monoisotopic Mass	152.120115130 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148
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