ODI
Summary
Name: | OCTANE-1,8-DIOL |
Synonyms: | 1,8-OCTANEDIOL |
Formula: | C8 H18 O2 |
Formal charge: | 0 |
Formula weight: | 146.227 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | octane-1,8-diol |
OpenEye OEToolkits | 1.5.0 | octane-1,8-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCCCCCCCCO |
SMILES_CANONICAL | CACTVS | 3.341 | OCCCCCCCCO |
SMILES | CACTVS | 3.341 | OCCCCCCCCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCCCO)CCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CCCCO)CCCO |
InChI | InChI | 1.03 | InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2 |
InChIKey | InChI | 1.03 | OEIJHBUUFURJLI-UHFFFAOYSA-N |