4-Pentenyl acetate
PubChem CID: 74096
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| Compound Synonyms | 4-Pentenyl acetate, 4-Penten-1-yl acetate, 1576-85-8, 5-Acetoxy-1-pentene, pent-4-enyl acetate, 4-Penten-1-ol, 1-acetate, pent-4-en-1-yl acetate, UNII-V4SIF0MABV, V4SIF0MABV, 4-Penten-1-ol acetate, CH3C(O)O(CH2)3CH=CH2, Pent-4-ene-1-yl acetate, Acetic Acid 4-Pentenyl Ester, EINECS 216-413-6, NSC-102504, 1-ACETOXY-4-PENTENE, FEMA NO. 4011, CHEBI:87515, DTXSID60166292, 4-PENTENYL ACETATE [FHFI], NSC 102504, MFCD00008723, NSC102504, 4-Pentenyl acetate #, starbld0000314, SCHEMBL2838452, DTXCID2088783, AKOS015892983, AS-77899, CS-0320872, NS00021705, D88422, 4-Pentenyl acetate, analytical reference material, Q27159688, 216-413-6 |
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| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pent-4-enyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C7H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVHDNIMNOMRZMF-UHFFFAOYSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -1.541 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.272 |
| Compound Name | 4-Pentenyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 128.169 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3000601999999997 |
| Inchi | InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3 |
| Smiles | CC(=O)OCCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients