1-(z,z,z-Octadeca-6,9,12-trienoyloxy)-3-(4-phenylbutanoyloxy)propane

HCID 69199741
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Basic information

Standard SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCCCOC(=O)CCCc1ccccc1
InChIKey
PYEXYBLSKKVFOE-QNEBEIHSSA-N
Molecular formula
C31H46O4
Average molar mass
482.7 g/mol

Names & identifiers

Preferred name
1-(z,z,z-Octadeca-6,9,12-trienoyloxy)-3-(4-phenylbutanoyloxy)propane
IUPAC
3-(4-phenylbutanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Names & synonyms

SCHEMBL4809355PYEXYBLSKKVFOE-QNEBEIHSSA-N1-(z,z,z-octadeca-6,9,12-trienoyloxy)-3-(4-phenylbutanoyloxy)propane

Database identifiers

PubChem CID
69199741

Properties

Computed structural properties

XLogP
8.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
23
Heavy atoms
35

Related reactions

4 records
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Compound notes

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