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GtoPdb Ligand ID: 2469

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 20.23
Molecular weight 154.14
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=CC(CCC=C(C)C)(O)C
Isomeric SMILES C=CC(CCC=C(C)C)(O)C
InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChI Key CDOSHBSSFJOMGT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,7-Dimethylocta-1,6-dien-3-ol
Database Links Click here for help
CAS Registry No. 78-70-6 (source: ChEBI)
ChEBI CHEBI:17580
ChEMBL Ligand CHEMBL25306
GtoPdb PubChem SID 135650522
PubChem CID 6549
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Wikipedia Linalool