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methyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

methyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

CAS: 301-01-9

Formula: C23H34O2

SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC

IUPAC: methyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

InChI: InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+

Composition: C (80.65%), H (10.01%), O (9.34%)

Molar Mass: 342.523

Atom Count: 59

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 342.255880335
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VCDLWFYODNTQOT-DMGWNJAXSA-N
Lipinski's Rule of Five
Molar Refractivity 116.16
Topological Polar Surface Area 26.3
Polarizability 42.49
Ring Count 0
Rotatable Bond Count 15

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