1 2D Structure

2D Structure

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 Formula	C₈H₁₆O₂
Molecular Weight	144.21 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	144.115029749 g/mol
Monoisotopic Mass	144.115029749 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	81.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 65376-05-8

CAS 65376-05-8

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