3OM
Summary
Name: | (3S)-1-octen-3-ol |
Formula: | C8 H16 O |
Formal charge: | 0 |
Formula weight: | 128.212 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3S)-oct-1-en-3-ol |
OpenEye OEToolkits | 1.7.6 | (3S)-oct-1-en-3-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(/C=C)CCCCC |
InChI | InChI | 1.03 | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1 |
InChIKey | InChI | 1.03 | VSMOENVRRABVKN-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](O)C=C |
SMILES | CACTVS | 3.385 | CCCCC[CH](O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCC[C@@H](C=C)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC(C=C)O |