3-Octen-5-yne, 2,7-dimethyl-, (Z)-
PubChem CID: 5368770
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| Compound Synonyms | 3-Octen-5-yne, 2,7-dimethyl-, (Z)-, FGLNIYXXYPEICN-ALCCZGGFSA-N, (3Z)-2,7-Dimethyl-3-octen-5-yne # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2,7-dimethyloct-3-en-5-yne |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGLNIYXXYPEICN-ALCCZGGFSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.241 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.088 |
| Compound Name | 3-Octen-5-yne, 2,7-dimethyl-, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8803756 |
| Inchi | InChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5,7,9-10H,1-4H3/b7-5- |
| Smiles | CC(C)/C=C\C#CC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients