Cbgha
Basic information
- Standard SMILES
CCCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O- InChIKey
DZRJYADBMRYKMJ-GHRIWEEISA-N- Molecular formula
- C23H34O4
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.24570956
Names & identifiers
- Preferred name
- Cbgha
- IUPAC
- 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hexyl-2,4-dihydroxybenzoic acid
Names & synonyms
CBGHASCHEMBL21814641SCHEMBL29531372DTXSID101348393(E)-3-(3,7-Dimethylocta-2,6-dien-1-yl)-6-hexyl-2,4-dihydroxybenzoic acid
Database identifiers
- PubChem CID
- 142464483
- DTXSID
DTXSID101348393
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
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Related reactions
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Compound notes
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