Basic information
- Standard SMILES
CCC(CC)(c1ccc(C=CC2(O)CCOCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1- InChIKey
UIDQQDCFWQSEAP-UHFFFAOYSA-N- Molecular formula
- C32H45BO4
- Average molar mass
- 504.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-[2-Methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethenyl]oxan-4-ol
- IUPAC
- 4-[2-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]ethenyl]oxan-4-ol
Names & synonyms
SCHEMBL1525519
Database identifiers
- PubChem CID
- 67065161
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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