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2D Structure
Also known as: 38584-37-1, 3-(hydroxymethyl)-1-adamantol, 3-hydroxy-1-hydroxymethyladmantane, 3-hydroxymethyl-1-adamantanol, 3-(hydroxymethyl)-1-adamantanol, Tricyclo[3.3.1.13,7]decane-1-methanol, 3-hydroxy-
Molecular Formula
C11H18O2
Molecular Weight
182.26  g/mol
InChI Key
FORAJDRXEYKDFJ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(hydroxymethyl)adamantan-1-ol
2.1.2 InChI
InChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2
2.1.3 InChI Key
FORAJDRXEYKDFJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC3(CC1CC(C2)(C3)O)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 38584-37-1

2. 3-(hydroxymethyl)-1-adamantol

3. 3-hydroxy-1-hydroxymethyladmantane

4. 3-hydroxymethyl-1-adamantanol

5. 3-(hydroxymethyl)-1-adamantanol

6. Tricyclo[3.3.1.13,7]decane-1-methanol, 3-hydroxy-

7. 3-hydroxy-1-hydroxymethyladamantane

8. 3-hydroxyadamantyl Methanol

9. 1-hydroxymethyl-3-adamantanol

10. 3-hydroxy-1-adamantylmethanol

11. Schembl1044999

12. Dtxsid10476954

13. 1-hydroxy-3-hydroxymethyladamantane

14. Amy18592

15. Mfcd03105096

16. 1-hydroxy-3-(hydroxymethyl)adamantane

17. Akos015917852

18. Cs-w001556

19. Ds-7805

20. Ft-0685213

21. H1415

22. A851729

23. 3-(hydroxymethyl)adamantan-1-ol, 38584-37-1,

24. J-512611

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 182.26 g/mol
Molecular Formula C11H18O2
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass182.130679813 g/mol
Monoisotopic Mass182.130679813 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1