cis-3-HEXENYLVALERATE
PubChem CID: 92573
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| Compound Synonyms | cis-3-HEXENYLVALERATE, hex-3-enyl pentanoate, (Z)-Hex-3-en-1-yl pentanoate, 3-hexenyl pentanoate, Hex-3-en-1-yl pentanoate, (Z)-hex-3-enyl pentanoate, (z)-3-hexen-1-yl valerate, DTXSID80865795, XPFTVTFOOTVHIA-UHFFFAOYSA-N, AKOS028109439, Q67879780 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hex-3-enyl pentanoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C11H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XPFTVTFOOTVHIA-UHFFFAOYSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -3.71 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.589 |
| Compound Name | cis-3-HEXENYLVALERATE |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5083298 |
| Inchi | InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3 |
| Smiles | CCCCC(=O)OCCC=CCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syringa Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients