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

DE1

Summary
Name:DECAN-1-OL
Formula:C10 H22 O
Formal charge:0
Formula weight:158.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04decan-1-ol
OpenEye OEToolkits1.5.0decan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCO
SMILESCACTVS3.341CCCCCCCCCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCO
InChIInChI1.03InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKeyInChI1.03MWKFXSUHUHTGQN-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon