(2E,4E,6E)-7-(7-Butoxy-4-isopropyl-2,2-dimethyl-2H-chromen-6-yl)-6-fluoro-3-methyl-octa-2,4,6-trienoic acid
Basic information
- Standard SMILES
CCCCOc1cc2c(cc1\C(C)=C(F)/C=C/C(C)=C/C(=O)O)C(C(C)C)=CC(C)(C)O2- InChIKey
VDKBNNZOVQUPSZ-VPQGWKRMSA-N- Molecular formula
- C27H35FO4
- Average molar mass
- 442.6 g/mol
Names & identifiers
- Preferred name
- (2E,4E,6E)-7-(7-Butoxy-4-isopropyl-2,2-dimethyl-2H-chromen-6-yl)-6-fluoro-3-methyl-octa-2,4,6-trienoic acid
- IUPAC
- (2E,4E,6E)-7-(7-butoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)-6-fluoro-3-methylocta-2,4,6-trienoic acid
Names & synonyms
SCHEMBL6281790VDKBNNZOVQUPSZ-VPQGWKRMSA-N(2E,4E,6E)-7-(7-Butoxy-4-isopropyl-2,2-dimethyl-2H-chromen-6-yl)-6-fluoro-3-methyl-octa-2,4,6-trienoic acid
Database identifiers
- PubChem CID
- 22490780
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 787
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Related reactions
1 records
Compound notes
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