2-(1-Adamantyl)-4-bromo-1-decyloxybenzene

HCID 13633552
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Basic information

Standard SMILES
CCCCCCCCCCOc1ccc(Br)cc1C12CC3CC(CC(C3)C1)C2
InChIKey
YRQHDQYFWGODHS-UHFFFAOYSA-N
Molecular formula
C26H39BrO
Average molar mass
447.5 g/mol
Monoisotopic mass
446.21843

Names & identifiers

Preferred name
2-(1-Adamantyl)-4-bromo-1-decyloxybenzene
IUPAC
1-(5-bromo-2-decoxyphenyl)adamantane

Names & synonyms

SCHEMBL9331929YRQHDQYFWGODHS-UHFFFAOYSA-N2(1-adamantyl)-4-bromo-1-decyloxybenzene2-(1-adamantyl)-4-bromo-1-decyloxybenzene

Database identifiers

PubChem CID
13633552

Properties

Computed structural properties

XLogP
10.5
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
11
Heavy atoms
28

Related reactions

8 records
New reaction record

Linked notes

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