4-Tridecen-6-yne, (Z)-
PubChem CID: 5367372
Connections displayed (default: 10).
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| Compound Synonyms | 4-Tridecen-6-yne, (Z)-, (4Z)-4-Tridecen-6-yne #, NPZMKXJJWSFOQL-CLFYSBASSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-tridec-4-en-6-yne |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Is Pains | False |
| Molecular Formula | C13H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPZMKXJJWSFOQL-CLFYSBASSA-N |
| Fcsp3 | 0.6923076923076923 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 4-Tridecen-6-yne, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.172 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 178.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 178.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.102777799999999 |
| Inchi | InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10,12H2,1-2H3/b9-7- |
| Smiles | CCCCCCC#C/C=C\CCC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients