2EH
Summary
Name: | (2S)-2-ethylhexan-1-ol |
Formula: | C8 H18 O |
Formal charge: | 0 |
Formula weight: | 130.228 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | (2S)-2-ethylhexan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CCCC[C@H](CC)CO |
SMILES | CACTVS | 3.352 | CCCC[CH](CC)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCC[C@H](CC)CO |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCCC(CC)CO |
InChI | InChI | 1.03 | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1 |
InChIKey | InChI | 1.03 | YIWUKEYIRIRTPP-QMMMGPOBSA-N |