Menthadienol

Synopsis, Chemistry

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Also known as: Menthadienol, 3269-90-7, 1,8-p-menthadien-9-ol, 1,8-p-menthadien-10-ol, 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol, Limonen-10-ol

Molecular Formula

C₁₀H₁₆O

Molecular Weight

152.23 g/mol

InChI Key

UIMAEYMKYMNCGW-UHFFFAOYSA-N

2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol is a natural product found in Chiliadenus lopadusanus and Citrus maxima with data available.

1 2D Structure

Menthadienol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol

2.1.2 InChI

InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3

2.1.3 InChI Key

UIMAEYMKYMNCGW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CCC(CC1)C(=C)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Menthadienol

2. 3269-90-7

3. 1,8-p-menthadien-9-ol

4. 1,8-p-menthadien-10-ol

5. 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol

6. Limonen-10-ol

7. P-mentha-1,8(10)dien-9-ol

8. 1,8-menthadien-9-ol

9. (r)-p-mentha-1,8-dien-10-ol

10. 3-cyclohexene-1-ethanol, 4-methyl-.beta.-methylene-

11. 4-methyl-beta-methylene-3-cyclohexene-1-ethanol

12. 1-methyl-4-((hydroxymethyl)vinyl)-cyclohex-1-ene

13. Limonene-10-ol

14. Einecs 221-889-3

15. (r)-limonene-10-ol

16. P-menth-1,8-dien-9-ol

17. 1,8-p-menthadiene-10-ol

18. 3-cyclohexene-1-ethanol, 4-methyl-beta-methylene-

19. P-menta-1,8-dien-10-ol

20. P-mentha-1,8-dien-10-ol

21. P-mentha-1,8-diene-10-ol

22. P-menthadien-1,8-dien-9-ol

23. Schembl1245213

24. Dtxsid50863142

25. Chebi:171928

26. P-mentha-1,8(10)-dien-9-ol

27. 2-[(1r)-4-methyl-1-cyclohex-3-enyl]prop-2-en-1-ol

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆O
Molecular Weight	152.23 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	152.120115130 g/mol
Monoisotopic Mass	152.120115130 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1