Catalog Number |
ACM63408446-5 |
CAS |
63408-44-6 |
Structure |
|
IUPAC Name |
(Z)-icos-13-en-10-one |
Synonyms |
(Z)-icos-13-en-10-one;63408-44-6;7Z-Eicosen-11-one;Z-7-Eicosene-11-one;Peachflure;(z)-7-eicosen-11-one;SCHEMBL432635;(13Z)-13-icosen-10-one;LMFA12000210;ZINC43061653 |
Molecular Weight |
294.5g/mol |
Molecular Formula |
C20H38O |
Canonical SMILES |
CCCCCCCCCC(=O)CCC=CCCCCCC |
InChI |
InChI=1S/C20H38O/c1-3-5-7-9-11-13-15-17-19-20(21)18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-19H2,1-2H3/b15-13- |
InChI Key |
HVUBXNQWXJBVHB-SQFISAMPSA-N |
Complexity |
242 |
Covalently-Bonded Unit Count |
1 |
Exact Mass |
294.292265831g/mol |
Heavy Atom Count |
21 |
Hydrogen Bond Acceptor Count |
1 |
Monoisotopic Mass |
294.292265831g/mol |
Rotatable Bond Count |
16 |
Topological Polar Surface Area |
17.1Ų |
X Log P3 |
7.9 |