PE9
Summary
Name: | PENTAN-1-OL |
Formula: | C5 H12 O |
Formal charge: | 0 |
Formula weight: | 88.148 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | pentan-1-ol |
OpenEye OEToolkits | 1.5.0 | pentan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCO |
SMILES | CACTVS | 3.341 | CCCCCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCO |
InChI | InChI | 1.03 | InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
InChIKey | InChI | 1.03 | AMQJEAYHLZJPGS-UHFFFAOYSA-N |