|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(3E,5E,9E)-6,10,14-trimethylpentadeca-3,5,9,13-tetraen-2-one , (3E,5E,9E)-6,10,14-trimethyl-2-pentadeca-3,5,9,13-tetraenone
|
| Smiles: |
C/C(=C\CC/C(=C/C=C/C(=O)C)/C)/CCC=C(C)C
|
| InChi : |
InChI=1S/C18H28O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h8-9,11,13-14H,6-7,10,12H2,1-5H3/b14-8+,16-11+,17-13+
|
| InChi Key : |
InChIKey=HGFAGNRYCRACAH-WWESEOGYSA-N
|
| PubChem ID : |
6430774
|
|
|
|
| Rotatable bond count : |
8
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
1
|
Ionization potential : |
9.159708
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
3.522
|
| XLogP : |
5.398
|
VDW volume : |
315.492115
|
| Molecular weight : |
260.214016
|
HOMO-LUMO gap : |
8.881000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|