(E)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate
PubChem CID: 6435033
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| Compound Synonyms | (E)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate, 67883-79-8, [(E)-hex-3-enyl] (Z)-2-methylbut-2-enoate, hexenyl tiglate (3z-), SCHEMBL1532457, BS-48909, D92420 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-hex-3-enyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C11H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JNWQKXUWZWKUAY-BAGHCZIJSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -3.188 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.248 |
| Compound Name | (E)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 182.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.5144306000000003 |
| Inchi | InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6+,10-5- |
| Smiles | CC/C=C/CCOC(=O)/C(=C\C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients