3-Ethyl-1-(4-{1-ethyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-pentan-3-ol

HCID 57709072

Basic information

Standard SMILES
CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C
InChIKey
WDYRJJKUVTXBDM-UHFFFAOYSA-N
Molecular formula
C31H47BO3
Average molar mass
478.5 g/mol

Names & identifiers

Preferred name
3-Ethyl-1-(4-{1-ethyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-pentan-3-ol
IUPAC
3-ethyl-1-[2-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]pentan-3-ol

Names & synonyms

SCHEMBL1525398WDYRJJKUVTXBDM-UHFFFAOYSA-N3-ethyl-1-(4-{1-ethyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-pentan-3-ol

Database identifiers

PubChem CID
57709072

Properties

Computed structural properties

Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
35

Related reactions

4 records

Compound notes

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