H95
Summary
Name: | (2~{S},5~{R})-hexane-2,5-diol |
Formula: | C6 H14 O2 |
Formal charge: | 0 |
Formula weight: | 118.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | (2~{S},5~{R})-hexane-2,5-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6+ |
InChIKey | InChI | 1.03 | OHMBHFSEKCCCBW-OLQVQODUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CC[C@@H](C)O |
SMILES | CACTVS | 3.385 | C[CH](O)CC[CH](C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](CC[C@H](C)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCC(C)O)O |