4,6-Dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid
Basic information
- CAS
152821-47-1- Standard SMILES
CC/C=C/C(CC)C/C(=C/C(O)(CC)CC(O)(/C=C/C(=O)O)CC)CC- InChIKey
LSVMTGUPGAJFCN-UHFFFAOYSA-N- Molecular formula
- C22H38O4
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.27700969
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid
- IUPAC
- (2E,7E,11E)-4,6,8,10-tetraethyl-4,6-dihydroxytetradeca-2,7,11-trienoic acid
- English name
- 4,6-dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid
- Molecular formula
- C22H38O4
- Molecular weight
- 366.53
Names & synonyms
4,6-Dhte-tdta4,6-Dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid152821-47-12,7,11-Tetradecatrienoic acid, 4,6,8,10-tetraethyl-4,6-dihydroxy-4,6,8,10-Tetraethyl-4,6-dihydroxy-2,7,11-tetradecatrienoic acid(2E,7E,11E)-4,6,8,10-tetraethyl-4,6-dihydroxytetradeca-2,7,11-trienoic acidCHEMBL464588
Database identifiers
- CAS
152821-47-1- PubChem CID
- 6440928
- ChEMBL
CHEMBL464588
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 528 · 528.0±50.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
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Compound notes
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