|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
[2,4,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate , 2-methylpropanoic acid [2,4,4-trimethyl-3-(2-methyl-1-oxopropoxy)pentyl] ester , 2-methylpropionic acid (3-isobutyryloxy-2,4,4-trimethyl-pentyl) ester
|
| Smiles: |
CC(C(=O)OC[C@H]([C@@H](C(C)(C)C)OC(=O)C(C)C)C)C
|
| InChi : |
InChI=1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3/t12-,13+/m1/s1
|
| InChi Key : |
InChIKey=PXNPSORLYYNBLA-OLZOCXBDSA-N
|
| PubChem ID : |
93439
|
|
|
|
| Rotatable bond count : |
9
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
4
|
Ionization potential : |
10.233823
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
3.287
|
| XLogP : |
3.529
|
VDW volume : |
315.180202
|
| Molecular weight : |
286.214409
|
HOMO-LUMO gap : |
11.396000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|