2-Nonen-4-yne, (Z)-
PubChem CID: 5367386
Connections displayed (default: 10).
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| Compound Synonyms | (Z)-non-2-en-4-yne, 2-Nonen-4-yne, (Z)-, (2Z)-2-Nonen-4-yne, (2Z)-2-Nonen-4-yne #, VSLJPTWFNWRVBG-HYXAFXHYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-non-2-en-4-yne |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C9H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSLJPTWFNWRVBG-HYXAFXHYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -3.465 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.081 |
| Compound Name | 2-Nonen-4-yne, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 122.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 122.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.7211081999999993 |
| Inchi | InChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,6,8H2,1-2H3/b5-3- |
| Smiles | CCCCC#C/C=C\C |
| 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