(E,Z)-7,11-Hexadecadienyl acetate
PubChem CID: 5363282
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 51607-94-4, 7,11-Hexadecadien-1-ol, acetate, (Z,E)-, [(7E,11Z)-hexadeca-7,11-dienyl] acetate, UNII-4EZ06Y14VL, 4EZ06Y14VL, (E,Z)-7,11-Hexadecadien-1-yl acetate, AI3-36135, (E,Z)-7,11-hexadecadienyl acetate, 7,11-Hexadecadien-1-yl acetate, (7E,11Z)-, GOSSYPLURE, (E,Z)-, DTXSID6058261, 7,11-HEXADECADIEN-1-OL, ACETATE, (7E,11Z)-, trans-cis-7,11-hexadecadienylacetate, E,Z-7,11-Hexadecadien-1-ol acetate, SCHEMBL1632330, 7,11-Hexadecadien-1-ol, acetate (stereoisomer unspec.), DTXCID2032130, Z,E-7,11-Hexadecadien-1-yl acetate, Trans-cis-7,11-hexadecadienyl acetate, DB-257145, (7E,11Z)-7,11-Hexadecadienyl acetate #, (7E,11Z)-7,11-hexadecadien-1-yl acetate, Q27259497 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(7E,11Z)-hexadeca-7,11-dienyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXJHOKLLMOYSRQ-JFEAUALZSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -4.025 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.344 |
| Compound Name | (E,Z)-7,11-Hexadecadienyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.4348024 |
| Inchi | InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3/b7-6-,11-10+ |
| Smiles | CCCC/C=C\CC/C=C/CCCCCCOC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients