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ODM

Summary
Name:(3R)-3,7-dimethyloct-6-en-1-ol
Synonyms:citronellol
Formula:C10 H20 O
Formal charge:0
Formula weight:156.265 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R)-3,7-dimethyloct-6-en-1-ol
OpenEye OEToolkits2.0.7(3~{R})-3,7-dimethyloct-6-en-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C/C(C)=C/CCC(C)CCO
InChIInChI1.03InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
InChIKeyInChI1.03QMVPMAAFGQKVCJ-SNVBAGLBSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](CCO)CCC=C(C)C
SMILESCACTVS3.385C[CH](CCO)CCC=C(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H](CCC=C(C)C)CCO
SMILESOpenEye OEToolkits2.0.7CC(CCC=C(C)C)CCO

217705

PDB entries from 2024-03-27

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