methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate

• ChemBase ID: 155535
• Molecular Formular: C21H36O2
• Molecular Mass: 320.50934
• Monoisotopic Mass: 320.27153039
• SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC
• InChI: InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7-,11-10-,14-13-
• InChIKey: QHATYOWJCAQINT-JPFHKJGASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
• IUPAC Traditional name: methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
• Synonyms: Fame 20:3n-6; Dihomo-γ-linolenic acid methyl ester; Methyl DGLA; cis-8,11,14-Eicosatrienoic acid methyl ester; DGLA 甲酯; 双高-γ-亚麻酸甲酯; 顺式-8,11,14-二十碳三烯酸甲酯

Database IDs

• CAS Number: 21061-10-9
• MDL Number: MFCD00673446
• PubChem SID: 24894516; 162249673
• PubChem CID: 5363092

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.0949864
• LogD (pH = 7.4): 7.0949864
• Log P: 7.0949864
• Molar Refractivity: 103.6065 cm^3
• Polarizability: 39.49335 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%
• Empirical Formula (Hill Notation): C21H36O2

DETAILS

Sigma Aldrich - E3511

Packaging
Sealed ampule