CAS 821-09-0

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Also known as: Pent-4-en-1-ol, 821-09-0, 4-pentenol, 4-pentenyl alcohol, 2-allylethyl alcohol, 4-pentene-1-ol

Molecular Formula

C₅H₁₀O

Molecular Weight

86.13 g/mol

InChI Key

LQAVWYMTUMSFBE-UHFFFAOYSA-N

FDA UNII

W0558TQC6F

4-pentenol is a natural product found in Brassica napus and Brassica rapa with data available.

1 2D Structure

CAS 821-09-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pent-4-en-1-ol

2.1.2 InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2

2.1.3 InChI Key

LQAVWYMTUMSFBE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCCCO

2.2 Other Identifiers

2.2.1 UNII

W0558TQC6F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Pent-4-en-1-ol

2.3.2 Depositor-Supplied Synonyms

1. Pent-4-en-1-ol

2. 821-09-0

3. 4-pentenol

4. 4-pentenyl Alcohol

5. 2-allylethyl Alcohol

6. 4-pentene-1-ol

7. W0558tqc6f

8. Nsc-97503

9. 4-pentenol-1

10. Unii-w0558tqc6f

11. 4-penten-1ol

12. 4penten-1-ol

13. Nsc97503

14. Einecs 212-473-2

15. 1-penten-5-ol

16. Mfcd00002975

17. 1-hydroxy-4-pentene

18. 5-hydroxy-1-pentene

19. Ai3-28608

20. Ch2=chch2ch2ch2oh

21. 4-penten-1-ol, 99%

22. 5-hydroxy-1-pentene-

23. Lqavwymtumsfbe-uhfffaoysa-

24. Dtxsid30231562

25. Act03061

26. Amy41353

27. Zinc1632700

28. Nsc 97503

29. Akos009156637

30. Cs-w011355

31. Sb83778

32. Db-008422

33. Ft-0619351

34. Ft-0619352

35. P1243

36. 4-penten-1-ol, Purum, >=97.0% (gc)

37. A840248

38. A851038

39. W-104186

40. Q27292125

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀O
Molecular Weight	86.13 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	86.073164938 g/mol
Monoisotopic Mass	86.073164938 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32.9
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

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