Catalog Number | ACM57981609-4 |
CAS | 57981-60-9 |
Structure | |
IUPAC Name | [(4E,7Z)-trideca-4,7-dienyl] acetate |
Synonyms | (E,Z)-Trideca-4,7-dien-1-yl acetate;4E,7Z-Tridecadienyl acetate;[(4E,7Z)-trideca-4,7-dienyl] acetate;(4E,7Z)-TRIDECA-4,7-DIEN-1-YL ACETATE;57981-60-9;61389-12-6;4,7-Tridecadien-1-ol, acetate, (4Z,7E)-;(E,Z)-4,7-Tridecenyl acetate;4,7-Tridecadien-1-ol, 1-acetate, (4Z,7E)-;(Z,E)-Trideca-4,7-dien-1-yl acetate;EINECS 262-757-5;4,7-Tridecadien-1-ol, acetate, (E,Z)-;SCHEMBL1301550;(E,Z)-4,7-tridecadienyl acetate;LMFA07010269;ZINC14771604;AKOS015959090;4,7-Tridecadien-1-ol,1-acetate, (4E,7Z)- |
Molecular Weight | 238.37g/mol |
Molecular Formula | C15H26O2 |
Canonical SMILES | CCCCCC=CCC=CCCCOC(=O)C |
InChI | InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+ |
InChI Key | LELQZCNRZHLYFG-QEFCTBRHSA-N |
Complexity | 229 |
Covalently-Bonded Unit Count | 1 |
EC Number | 261-058-2;262-757-5 |
Exact Mass | 238.193280068g/mol |
Heavy Atom Count | 17 |
Hydrogen Bond Acceptor Count | 2 |
Monoisotopic Mass | 238.193280068g/mol |
Rotatable Bond Count | 11 |
Topological Polar Surface Area | 26.3Ų |
X Log P3 | 4.8 |