Pentadeca-5,8-diyne
PubChem CID: 5320467
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadeca-5,8-diyne |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ANNOQCCFJMIPHQ-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.515 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.966 |
| Compound Name | Pentadeca-5,8-diyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.629613399999999 |
| Inchi | InChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-9,11,14H2,1-2H3 |
| Smiles | CCCCCCC#CCC#CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients