3-(Hydroxymethyl)Adamantan-1-Ol

Synopsis, Chemistry

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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

3-(Hydroxymethyl)Adamantan-1-Ol

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 Formula	C₁₁H₁₈O₂
Molecular Weight	182.26 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	182.130679813 g/mol
Monoisotopic Mass	182.130679813 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222
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