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3,7-Dimethylocta-1,6-dien-3-yl 4-hydroxydecanoate (HCID 53785799)|Huagongshe
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Compound
3,7-Dimethylocta-1,6-dien-3-yl 4-hydroxydecanoate
HCID
53785799
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Basic information
Standard SMILES
C=CC(C)(CCC=C(C)C)OC(=O)CCC(O)CCCCCC
InChIKey
DYKOVUKKCCKNPX-UHFFFAOYSA-N
Molecular formula
C20H36O3
Average molar mass
324.5 g/mol
Names & identifiers
Preferred name
3,7-Dimethylocta-1,6-dien-3-yl 4-hydroxydecanoate
IUPAC
3,7-dimethylocta-1,6-dien-3-yl 4-hydroxydecanoate
Names & synonyms
SCHEMBL5728051
Database identifiers
PubChem CID
53785799
Properties
Computed structural properties
XLogP
5.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
23
Formal charge
0
Complexity
369
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Related reactions
1 records
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As solvent
HRID
1208009
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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