(E)-2-butyl-2-octenal
PubChem CID: 5352696
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| Compound Synonyms | (E)-2-butyl-2-octenal, (E)-2-butyloct-2-enal, 2-Octenal, 2-butyl-, (E)-, 64935-38-2, 2-Hexylidenehexanal, E-, 2-Butyl-2-octenal, (2E)-, FEMA no. 4616, E-, 2-Octenal, 2-butyl-, (2E)-, 2-BUTYL-2-OCTENAL, (2E)-2-butyl-2-octenal, 2-Octenal, 2-butyl, (E)-, 528869X357, 13019-16-4, 49D14RAJ7M, 2-butyl-2-octenal (Z), UNII-49D14RAJ7M, UNII-528869X357, 2-butyl-2-octenal (E), SCHEMBL730612, LYGMPIZYNJGJKP-ZRDIBKRKSA-N, DTXSID501314164, Q27260976 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-butyloct-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C12H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYGMPIZYNJGJKP-ZRDIBKRKSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.628 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.152 |
| Compound Name | (E)-2-butyl-2-octenal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2773033999999996 |
| Inchi | InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10+ |
| Smiles | CCCCC/C=C(\CCCC)/C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients