Hex-3-enyl acetate
PubChem CID: 15574
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| Compound Synonyms | Hex-3-enyl acetate, 3-Hexen-1-ol, acetate, DTXSID6047234, 1708-82-3, 3-hexen-1-yl acetate, 3-hexen-1-ol acetate, DTXCID4027234, NPFVOOAXDOBMCE-UHFFFAOYSA-N, AKOS025243684, NS00077432, 216-965-8 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hex-3-enyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C8H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPFVOOAXDOBMCE-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -5.159 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.875 |
| Compound Name | Hex-3-enyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.5823276 |
| Inchi | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3 |
| Smiles | CCC=CCCOC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all