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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

Menthadienol
1 2D Structure

Menthadienol

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

2.3.2 Other Synonyms

1. 4-methyl-beta-methylenecyclohex-3-ene-1-ethanol

2. 3269-90-7

3. 38142-45-9

4. Menthadienol

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

BUILDING BLOCK

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