Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

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

ProgramVersionName
OpenEye OEToolkits1.6.1(2S)-2-ethylhexan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CCCC[C@H](CC)CO
SMILESCACTVS3.352CCCC[CH](CC)CO
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCC[C@H](CC)CO
SMILESOpenEye OEToolkits1.7.0CCCCC(CC)CO
InChIInChI1.03InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyInChI1.03YIWUKEYIRIRTPP-QMMMGPOBSA-N

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon