5-Undecene, (5E)-
PubChem CID: 5364447
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| Compound Synonyms | (E)-5-Undecene, 5-Undecene, (E)-, 5-Undecene, (5E)-, (E)-undec-5-ene, 764-97-6, trans-5-Undecene, O41NLB9Z1L, (5E)-5-Undecene, .EPSILON.-TRANS-UNDECENE, UNII-O41NLB9Z1L, trans-undec-5-ene, 5Undecene, (E), 5-Undecene, trans-, (5E)-5-Undecene #, EPSILON-TRANS-UNDECENE, CHEBI:88565, DTXSID00874001, NS00061988, Q27160456 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-undec-5-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C11H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NGCRXXLKJAAUQQ-PKNBQFBNSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -5.745 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.72 |
| Compound Name | 5-Undecene, (5E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 154.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6358414 |
| Inchi | InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h9,11H,3-8,10H2,1-2H3/b11-9+ |
| Smiles | CCCCC/C=C/CCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients