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2LE

Summary
Name:(2R,5S)-5-pentyltetrahydrofuran-2-ol
Formula:C9 H18 O2
Formal charge:0
Formula weight:158.238 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,5S)-5-pentyltetrahydrofuran-2-ol
OpenEye OEToolkits1.7.2(2R,5S)-5-pentyloxolan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1OC(CCCCC)CC1
InChIInChI1.03InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyInChI1.03FAPYUVKMJWJMEH-DTWKUNHWSA-N
SMILES_CANONICALCACTVS3.370CCCCC[C@H]1CC[C@H](O)O1
SMILESCACTVS3.370CCCCC[CH]1CC[CH](O)O1
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCC[C@H]1CC[C@@H](O1)O
SMILESOpenEye OEToolkits1.7.2CCCCCC1CCC(O1)O

222415

數據於2024-07-10公開中

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