Basic information
- Standard SMILES
CC(C)(C)OC(=O)/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1- InChIKey
LSFFQZGKMWUJQQ-XQGXJMQDSA-N- Molecular formula
- C29H34O3
- Average molar mass
- 430.6 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl (2E)-3-{4-[bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenyl}-2-propenoate
- IUPAC
- tert-butyl (E)-3-[4-[9-bicyclo[3.3.1]nonanylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate
Names & synonyms
SCHEMBL4264110LSFFQZGKMWUJQQ-XQGXJMQDSA-N1,1-Dimethylethyl (2E)-3-{4-[bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenyl}-2-propenoate1,1-Dimethylethyl(2E)-3-{4-[bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenyl}-2-propenoate
Database identifiers
- PubChem CID
- 68979552
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 672
Related reactions
8 records
Compound notes
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