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2D Structure
Also known as: 60456-22-6, (s)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane, (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, (s)-(-)-3-chloro-1,2-propanediol acetonide, (s)-(-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, Jy2t4w3yan
Molecular Formula
C6H11ClO2
Molecular Weight
150.60  g/mol
InChI Key
BNPOTXLWPZOESZ-RXMQYKEDSA-N
FDA UNII
JY2T4W3YAN

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane
2.1.2 InChI
InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m1/s1
2.1.3 InChI Key
BNPOTXLWPZOESZ-RXMQYKEDSA-N
2.1.4 Canonical SMILES
CC1(OCC(O1)CCl)C
2.1.5 Isomeric SMILES
CC1(OC[C@H](O1)CCl)C
2.2 Other Identifiers
2.2.1 UNII
JY2T4W3YAN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 60456-22-6

2. (s)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane

3. (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

4. (s)-(-)-3-chloro-1,2-propanediol Acetonide

5. (s)-(-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

6. Jy2t4w3yan

7. (s)-3-chloro-1,2-propanediol Acetonide

8. 4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, (-)-

9. 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (4s)-

10. (s)-(-)-4-chloromethyl-2,2-dimethyl-1,3-dioxolane

11. Mfcd00273365

12. 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (s)-

13. Unii-jy2t4w3yan

14. Schembl1077396

15. Bnpotxlwpzoesz-rxmqykedsa-

16. Bnpotxlwpzoesz-rxmqykedsa-n

17. Akos015848755

18. Ac-6920

19. Cs-w018133

20. Bp-21447

21. Cs-11303

22. C1796

23. I11526

24. ?(s)-(-)-3-chloro-1,2-propanediol Acetonide

25. En300-7149401

26. (s)-2,2-dimethyl-4-chloromethyl-1,3-dioxolane

27. (s)-4-chloromethyl-2,2-dimethyl-[1,3]dioxolane

28. (s)-(+)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

29. (s)-(-)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, 98%

30. (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane 100 Microg/ml In Acetonitrile

31. Inchi=1/c6h11clo2/c1-6(2)8-4-5(3-7)9-6/h5h,3-4h2,1-2h3/t5-/m1/s1

32. 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (4s)-; 1,3-dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (s)-; (4s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane; (s)-3-chloro-1,2-propanediol Acetonide; (s)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

2.4 Create Date
2006-07-28
3 Chemical and Physical Properties
Molecular Weight 150.60 g/mol
Molecular Formula C6H11ClO2
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area18.5
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1