Tridecene
PubChem CID: 5364435
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| Compound Synonyms | trans-2-tridecene, Tridecene, 2-Tridecene, (E)-, (E)-2-Tridecene, (E)-tridec-2-ene, 2-Tridecene, (2E)-, beta-trans-Tridecene, 25377-82-6, (2E)-2-Tridecene, 41446-58-6, UNII-VM944647CR, 2-Tridecene, (E), HSDB 5172, VM944647CR, EINECS 246-919-2, EC 246-919-2, UNII-701VY0097H, 2-Tridecene,(E)-, (2E)-tridec-2-ene, TRIDECENE [HSDB], .BETA.-TRANS-TRIDECENE, QSPL 095, CHEBI:87590, DTXSID20880866, DTXSID30893068, XWVHBWQEYOROBE-HWKANZROSA-N, 701VY0097H, NS00010036, Q27159755, 940-027-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 103.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tridec-2-ene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Is Pains | False |
| Molecular Formula | C13H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWVHBWQEYOROBE-HWKANZROSA-N |
| Fcsp3 | 0.8461538461538461 |
| Rotatable Bond Count | 9.0 |
| Compound Name | Tridecene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.203 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 182.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 182.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.925176199999999 |
| Inchi | InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3/b5-3+ |
| Smiles | CCCCCCCCCC/C=C/C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all