4-Octyne
PubChem CID: 16029
Connections displayed (default: 10).
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| Compound Synonyms | 4-OCTYNE, 1942-45-6, Oct-4-yne, Dipropylacetylene, 1,2-Dipropylacetylene, IJI0Q2V1Z6, EINECS 217-730-2, UNII-IJI0Q2V1Z6, n-C3H7C.$.CC3H7, DTXSID6074338, 4-Octyne, 99%, 3-dithylacetylene, MFCD00009471, DTXCID2036085, AKOS015903071, LS-13466, DB-044852, NS00026328, O0127, D91807, Q230017 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 79.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oct-4-yne |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C8H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZTNBKQTTZSQNS-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -3.3 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.19 |
| Compound Name | 4-Octyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.51434 |
| Inchi | InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
| Smiles | CCCC#CCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients