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1-Hexadecyl-2-methoxybenzene (HCID 20218652)|Huagongshe
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Compound
1-Hexadecyl-2-methoxybenzene
HCID
20218652
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCCCCCCCc1ccccc1OC
InChIKey
SDWPUZUXLBCZPE-UHFFFAOYSA-N
Molecular formula
C23H40O
Average molar mass
332.6 g/mol
Names & identifiers
Preferred name
1-Hexadecyl-2-methoxybenzene
IUPAC
1-hexadecyl-2-methoxybenzene
Names & synonyms
1-Hexadecyl-2-methoxybenzene
SCHEMBL10809890
SCHEMBL11723352
SDWPUZUXLBCZPE-UHFFFAOYSA-N
Database identifiers
PubChem CID
20218652
Properties
Computed structural properties
XLogP
10.8
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
16
Heavy atoms
24
Formal charge
0
Complexity
250
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
235721
As product
uspto-grants-1987_02
HRID
235722
As reactant
uspto-grants-1987_02
HRID
696845
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1124608
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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