Adamantane

Synopsis, Chemistry

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Also known as: 281-23-2, Tricyclo[3.3.1.13,7]decane, Adamantan, Tricyclo[3.3.1.1(3,7)]decane, Tricyclo[3.3.1.1~3,7~]decane, Tricyclo(3.3.1.13,7)decane

Molecular Formula

C₁₀H₁₆

Molecular Weight

136.23 g/mol

InChI Key

ORILYTVJVMAKLC-UHFFFAOYSA-N

FDA UNII

PJY633525U

A tricyclo bridged hydrocarbon.

1 2D Structure

Adamantane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

adamantane

2.1.2 InChI

InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

2.1.3 InChI Key

ORILYTVJVMAKLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2CC3CC1CC(C2)C3

2.2 Other Identifiers

2.2.1 UNII

PJY633525U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Diamantane

2.3.2 Depositor-Supplied Synonyms

1. 281-23-2

2. Tricyclo[3.3.1.13,7]decane

3. Adamantan

4. Tricyclo[3.3.1.1(3,7)]decane

5. Tricyclo[3.3.1.1~3,7~]decane

6. Tricyclo(3.3.1.13,7)decane

7. Chebi:40519

8. Pjy633525u

9. Nsc-527913

10. A 0696; Nsc 527913

11. Tricyclo[3.3.1.1]decane

12. Einecs 206-001-4

13. Nsc 527913

14. Adamantine

15. Unii-pjy633525u

16. Mfcd00074719

17. Adamantane; >99%

18. Adamantane, >=99%

19. Adamantane [mi]

20. Ec 206-001-4

21. Amy793

22. Chembl1230831

23. Dtxsid5022017

24. Hy-n2427

25. Zinc1271109

26. Adamantane (purified By Sublimation)

27. Nsc527913

28. Tricyclo[3.3.1.1<3,7>]decane

29. Adamantane Tricyclo[3.3.1.1]decane

30. Akos000119960

31. Akos004908007

32. Db03627

33. Ds-4960

34. Tricyclo(3,3,1,1,<3,7>)-decane

35. As-12242

36. Db-004015

37. A0696

38. Cs-0022641

39. Ft-0621893

40. S2869

41. D88553

42. A819332

43. Q351461

44. W-107075

45. F0001-0891

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆
Molecular Weight	136.23 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	136.125200510 g/mol
Monoisotopic Mass	136.125200510 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	75.1
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