H95

?

Summary

Name:(2~{S},5~{R})-hexane-2,5-diol
Formula:C6 H14 O2
Formal charge:0
Molecular weight:118.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S},5~{R})-hexane-2,5-diol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKeyInChI1.03OHMBHFSEKCCCBW-OLQVQODUSA-N
SMILES_CANONICALCACTVS3.385C[C@H](O)CC[C@@H](C)O
SMILESCACTVS3.385C[CH](O)CC[CH](C)O
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@H](CC[C@H](C)O)O
SMILESOpenEye OEToolkits2.0.6CC(CCC(C)O)O