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Also known as: 65376-05-8, (1r,2r)-cyclohexane-1,2-diyldimethanol, Trans-cyclohexane-1,2-diyldimethanol, 25712-33-8, Trans-1,2-cyclohexanedimethanol, [(1r,2r)-2-(hydroxymethyl)cyclohexyl]methanol
Molecular Formula
C8H16O2
Molecular Weight
144.21  g/mol
InChI Key
XDODWINGEHBYRT-YUMQZZPRSA-N

CAS 65376-05-8
1 2D Structure

CAS 65376-05-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methanol
2.1.2 InChI
InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8-/m0/s1
2.1.3 InChI Key
XDODWINGEHBYRT-YUMQZZPRSA-N
2.1.4 Canonical SMILES
C1CCC(C(C1)CO)CO
2.1.5 Isomeric SMILES
C1CC[C@H]([C@@H](C1)CO)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 65376-05-8

2. (1r,2r)-cyclohexane-1,2-diyldimethanol

3. Trans-cyclohexane-1,2-diyldimethanol

4. 25712-33-8

5. Trans-1,2-cyclohexanedimethanol

6. [(1r,2r)-2-(hydroxymethyl)cyclohexyl]methanol

7. Trans-1,2-bis(hydroxymethyl)cyclohexane

8. 1,2-cyclohexanedimethanol, (1r-trans)-

9. 1,2-cyclohexanedimethanol, (1r,2r)-rel-

10. Mfcd16660860

11. (1r,2r)-1,2-bis(hydroxymethyl)cyclohexane

12. Schembl130805

13. Amy5218

14. Dtxsid101285244

15. Zinc406932

16. Akos016000198

17. Rel-(1r,2r)-1,2-cyclohexanedimethanol

18. Ac-22678

19. Ds-17552

20. (1r)-cyclohexane-1beta,2alpha-dimethanol

21. Cs-0028229

22. A848236

23. A1-00282

24. J-500290

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 144.21 g/mol
Molecular Formula C8H16O2
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass144.115029749 g/mol
Monoisotopic Mass144.115029749 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity81.3
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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