1,1-Dimethylethyl (2E)-3-{4-[bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenyl}-2-propenoate

HCID 68979552

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

Related reactions

8 records

Compound notes

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