OCT
Summary
Name: | N-OCTANE |
Formula: | C8 H18 |
Formal charge: | 0 |
Formula weight: | 114.229 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | octane |
OpenEye OEToolkits | 1.5.0 | octane |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | CCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 |
InChIKey | InChI | 1.03 | TVMXDCGIABBOFY-UHFFFAOYSA-N |