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Compound
1-Dimethoxymethyl-4-propyl-benzene
HCID
20549038
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCc1ccc(C(OC)OC)cc1
InChIKey
MEFODBYPVOKGPC-UHFFFAOYSA-N
Molecular formula
C12H18O2
Average molar mass
194.27 g/mol
Names & identifiers
Preferred name
1-Dimethoxymethyl-4-propyl-benzene
IUPAC
1-(dimethoxymethyl)-4-propylbenzene
Names & synonyms
SCHEMBL1781027
MEFODBYPVOKGPC-UHFFFAOYSA-N
1-dimethoxymethyl-4-propyl-benzene
Database identifiers
PubChem CID
20549038
Nikkaji
J3.265.866K
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
135
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
804986
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1174066
As product
uspto-grants-2010_11
HRID
1920534
As product
uspto-grants-2012_05
HRID
1929292
As product
uspto-grants-2012_05
Compound notes
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