trans-1,3-Cyclohexanediol
Product Information
Molecular Formula
C6H12O2
Molecular Weight
116.16
Description
trans-1,3-Cyclohexanediol is a vital compound extensively used in the biomedical industry. It plays a crucial role in the development of various drugs and treatments targeting diseases such as cancer, cardiovascular disorders, and neurological conditions. This compound's unique properties and versatile applications make it an indispensable component in biomedical research and pharmaceutical manufacturing processes.
Synonyms
trans-1,3-Dihydroxycyclohexane
IUPAC Name
(1R,3R)-cyclohexane-1,3-diol
SMILES
C1CC(CC(C1)O)O
InChI
InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/m1/s1
InChI Key
RLMGYIOTPQVQJR-PHDIDXHHSA-N
Boiling Point
135°C/13mmHg(lit.)
Melting Point
113.0 to 120.0 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Computed Properties
XLogP3
0.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
116.083729621 g/mol
Monoisotopic Mass
116.083729621 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
64.9
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
Compound Is Canonicalized
Yes
