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CAS 22972-51-6
Also known as: 22972-51-6, Cis-isolimonenol, (1s,4r)-p-mentha-2,8-dien-1-ol, 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s,4r)-, 2,8-p-menthadien-1-ol, cis-(+)-, (1s,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
Molecular Formula
C10H16O
Molecular Weight
152.23  g/mol
InChI Key
MKPMHJQMNACGDI-VHSXEESVSA-N
FDA UNII
1EOK52ZYQH

1 2D Structure

CAS 22972-51-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
2.1.2 InChI
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1
2.1.3 InChI Key
MKPMHJQMNACGDI-VHSXEESVSA-N
2.1.4 Canonical SMILES
CC(=C)C1CCC(C=C1)(C)O
2.1.5 Isomeric SMILES
CC(=C)[C@@H]1CC[C@](C=C1)(C)O
2.2 Other Identifiers
2.2.1 UNII
1EOK52ZYQH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 22972-51-6

2. Cis-isolimonenol

3. (1s,4r)-p-mentha-2,8-dien-1-ol

4. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s,4r)-

5. 2,8-p-menthadien-1-ol, Cis-(+)-

6. (1s,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

7. (+)-p-mentha-2,8-dien-1-ol

8. (+)-cis-p-mentha-2,8-dien-1-ol

9. (+)-(1s,4r)-p-mentha-2,8-dien-1-ol

10. 1eok52zyqh

11. Fema No. 4411, Cis-(+)-

12. (1s,4r)-p-menth-2,8-dien-1-ol

13. (1s,4r)-4-isopropenyl-1-methylcyclohex-2-en-1-ol

14. (1s,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

15. Rel-(1s,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol

16. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s-cis)-

17. Unii-1eok52zyqh

18. Mfcd08460036

19. P-mentha-2,8-dien-1-beta-ol

20. Schembl1114907

21. Cis-p-mentha-2,8-diene 1-ol

22. Dtxsid50177519

23. Chebi:171955

24. Bcp12523

25. Cs-m3276

26. Zinc5158345

27. Cis-(+)-2,8-p-menthadien-1-ol

28. Fd7167

29. Akos006288260

30. Ds-4115

31. Ac-26319

32. Hy-41094

33. P-mentha-2,8-dien-1-.beta.-ol

34. P-mentha-2,8-dien-1-ol, (1s,4r)-

35. 972m516

36. A846922

37. (1s,4r)-4-isoprenyl-1-methylcyclohex-2-en-1-ol

38. Q27252332

39. (1s,4r)-1-methyl-4-(1-methylvinyl)-cyclohex-2-ene-1-ol

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 152.23 g/mol
Molecular Formula C10H16O
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass152.120115130 g/mol
Monoisotopic Mass152.120115130 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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