Catalog Number |
ACM60037583-3 |
CAS |
60037-58-3 |
Structure |
|
IUPAC Name |
[(Z)-octadec-13-enyl] acetate |
Synonyms |
60037-58-3;UNII-IV05LXA90J;(z)-13-octadecenyl acetate;Z-13-Octadecen-1-yl acetate;(Z)-13-Octadecen-1-yl acetate;13Z-Octadecenyl acetate;IV05LXA90J;13-Octadecen-1-ol, 1-acetate, (13Z)-;(13Z)-13-Octadecenyl acetate;(Z)-Octadec-13-en-1-yl acetate;Z-13-octadecenyl acetate;13-Octadecenyl acetate, (13Z)-;Z-13-Octadecen-1-ol acetate;[(Z)-octadec-13-enyl] acetate;SCHEMBL592603;DTXSID7035777;(13Z)-13-Octadecenyl acetate #;Z-13-OCTADECEN-1-YLACETATE;LMFA07010388;ZINC33839711;Acetic acid (Z)-13-octadecenyl ester;Q27280906 |
Molecular Weight |
310.5g/mol |
Molecular Formula |
C20H38O2 |
Canonical SMILES |
CCCCC=CCCCCCCCCCCCCOC(=O)C |
InChI |
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7H,3-5,8-19H2,1-2H3/b7-6- |
InChI Key |
PPNRRQMJESAXGJ-SREVYHEPSA-N |
Complexity |
258 |
Covalently-Bonded Unit Count |
1 |
Exact Mass |
310.287180451g/mol |
Heavy Atom Count |
22 |
Hydrogen Bond Acceptor Count |
2 |
Monoisotopic Mass |
310.287180451g/mol |
Rotatable Bond Count |
17 |
Topological Polar Surface Area |
26.3Ų |
UNII |
IV05LXA90J |
X Log P3 |
8 |