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2-[4-(6-Methyloctoxy)phenyl]-5-octylpyridine

HCID 14401541
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCCCc1ccc(-c2ccc(OCCCCCC(C)CC)cc2)nc1
InChIKey
UEWALMVFXLAJNV-UHFFFAOYSA-N
Molecular formula
C28H43NO
Average molar mass
409.6 g/mol

Names & identifiers

Preferred name
2-[4-(6-Methyloctoxy)phenyl]-5-octylpyridine
IUPAC
2-[4-(6-methyloctoxy)phenyl]-5-octylpyridine

Names & synonyms

SCHEMBL9279372

Database identifiers

PubChem CID
14401541

Properties

Computed structural properties

XLogP
10.2
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
16
Heavy atoms
30
Formal charge
0
Complexity
390

Related reactions

1 records
New reaction record
HRID 1240061 reaction equation
HRID 1240061As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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