2-Octen-1-yl acetate, (2E)-
PubChem CID: 5463875
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| Compound Synonyms | trans-2-Octen-1-yl acetate, (E)-Oct-2-enyl acetate, 3913-80-2, E-2-Octenyl acetate, [(E)-oct-2-enyl] acetate, 2-Octen-1-ol, acetate, (E)-, 2E-Octenyl acetate, 2-Octenyl acetate, trans-, 2-Octenyl acetate, (E)-, 2-Octen-1-yl acetate, 2371-13-3, 2-Octen-1-yl acetate, trans-, 2-Octen-1-ol, acetate, EINECS 223-473-7, FEMA No. 3516, 9I792BSW7F, FEMA 3516, 2-Octen-1-yl acetate, (2E)-, (e)-2-octenyl acetate, EINECS 219-140-0, AI3-34407, TRANS-2-OCTENYL ACETATE, DTXSID70192380, 2-Octen-1-ol, 1-acetate, (e)-2-octen-1-yl acetate, 2-Octen-1-ol, acetate, (2E)-, OCTEN-1-YL ACETATE, TRANS-2-, 2-OCTEN-1-YL ACETATE, (E)-, TRANS-2-OCTEN-1-YL ACETATE [FHFI], 2-OCTEN-1-OL, 1-ACETATE, (2E)-, ((E)-oct-2-enyl) acetate, (2E)-2-Octen-1-yl acetate, 2-octenyl acetate (High Trans), DTXSID40862907, UNII-9I792BSW7F, 2-Octenylacetate, (E)-Oct-2-en-1-ylacetate, SCHEMBL1302237, (E)-Oct-2-en-1-yl acetate, DTXCID10811609, DTXCID80114871, CHEBI:180238, LMFA07010188, AKOS006274557, DB-247254, NS00022137, Q27272586 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-oct-2-enyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MBRLTLPMVMFRTJ-BQYQJAHWSA-N |
| Fcsp3 | 0.7 |
| Logs | -3.027 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.975 |
| Compound Name | 2-Octen-1-yl acetate, (2E)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3550624 |
| Inchi | InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| Smiles | CCCCC/C=C/COC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients